trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide

C19H25Cl2FN2O — CID 170330440

IUPACtrans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
SMILESCC1([C@@H](NC(=O)[C@@H]2CC[C@@H](N)C2)c2c(F)ccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C19H25Cl2FN2O/c1-19(8-2-3-9-19)17(15-14(22)7-6-13(20)16(15)21)24-18(25)11-4-5-12(23)10-11/h6-7,11-12,17H,2-5,8-10,23H2,1H3,(H,24,25)/t11-,12-,17+/m1/s1
InChIKeyOZYZABCNLBBRQW-QFSBIZTOSA-N
MW387.33 g/mol
LogP5.00
Rot. Bonds4

About trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide

trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide (PubChem CID 170330440) has the molecular formula C19H25Cl2FN2O and a molecular weight of 387.33 g/mol. Its IUPAC name is trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
PubChem CID170330440
Molecular FormulaC19H25Cl2FN2O
Molecular Weight387.33 g/mol
Exact Mass386.13
IUPAC Nametrans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
SMILESCC1([C@@H](NC(=O)[C@@H]2CC[C@@H](N)C2)c2c(F)ccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C19H25Cl2FN2O/c1-19(8-2-3-9-19)17(15-14(22)7-6-13(20)16(15)21)24-18(25)11-4-5-12(23)10-11/h6-7,11-12,17H,2-5,8-10,23H2,1H3,(H,24,25)/t11-,12-,17+/m1/s1
InChIKeyOZYZABCNLBBRQW-QFSBIZTOSA-N
XLogP5.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,3R)-3-[[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]carbamoyl]cyclopentyl]oxetane-3-carboxamide
CID 170580644
3-acetamido-4-amino-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 170330453
trans-(1R,3R)-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-[(2-methoxyacetyl)amino]cyclopentane-1-carboxamide
CID 170581014
cis-(1S,3R)-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-[[(2R)-2-phenylpropanoyl]amino]cyclopentane-1-carboxamide
CID 170579368
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide
CID 170581301
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 170579105
CID 170580865
CID 170580865
[(1R,2R)-1-tert-butyl-4-[[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]carbamoyl]-2-hydroxycyclopentyl] carbamate
CID 177248784
(1S,2R,4S)-4-acetamido-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-2-(hydroxymethyl)cyclopentane-1-carboxamide
CID 170330228
(5R)-1-benzyl-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580766
N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 170580433
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-1-(pyridin-3-ylmethylsulfonyl)pyrrolidine-3-carboxamide
CID 170580737

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide (CID 170330440) is trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide is CC1([C@@H](NC(=O)[C@@H]2CC[C@@H](N)C2)c2c(F)ccc(Cl)c2Cl)CCCC1.
What is the InChIKey of trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is OZYZABCNLBBRQW-QFSBIZTOSA-N. The full InChI is InChI=1S/C19H25Cl2FN2O/c1-19(8-2-3-9-19)17(15-14(22)7-6-13(20)16(15)21)24-18(25)11-4-5-12(23)10-11/h6-7,11-12,17H,2-5,8-10,23H2,1H3,(H,24,25)/t11-,12-,17+/m1/s1.
What are the key properties of trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide?
trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 387.33 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 170330440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).