CID 170580865

C27H32Cl2FN2O2Sb — CID 170580865

IUPAC—
SMILESCC1(C(NC(=O)C2CC(NC(=O)Cc3ccccc3)C2)c2c(F)ccc(Cl)c2Cl)CCCC1.C[Sb]
InChIInChI=1S/C26H29Cl2FN2O2.CH3.Sb/c1-26(11-5-6-12-26)24(22-20(29)10-9-19(27)23(22)28)31-25(33)17-14-18(15-17)30-21(32)13-16-7-3-2-4-8-16;;/h2-4,7-10,17-18,24H,5-6,11-15H2,1H3,(H,30,32)(H,31,33);1H3;
InChIKeyCPBNMGNRRHARMY-UHFFFAOYSA-N
MW628.23 g/mol
LogP6.21
Rot. Bonds7

About CID 170580865

CID 170580865 (PubChem CID 170580865) has the molecular formula C27H32Cl2FN2O2Sb and a molecular weight of 628.23 g/mol.

Molecular Properties

Compound NameCID 170580865
PubChem CID170580865
Molecular FormulaC27H32Cl2FN2O2Sb
Molecular Weight628.23 g/mol
Exact Mass626.09
IUPAC Name—
SMILESCC1(C(NC(=O)C2CC(NC(=O)Cc3ccccc3)C2)c2c(F)ccc(Cl)c2Cl)CCCC1.C[Sb]
InChIInChI=1S/C26H29Cl2FN2O2.CH3.Sb/c1-26(11-5-6-12-26)24(22-20(29)10-9-19(27)23(22)28)31-25(33)17-14-18(15-17)30-21(32)13-16-7-3-2-4-8-16;;/h2-4,7-10,17-18,24H,5-6,11-15H2,1H3,(H,30,32)(H,31,33);1H3;
InChIKeyCPBNMGNRRHARMY-UHFFFAOYSA-N
XLogP6.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.23
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
3-acetamido-4-amino-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 170330453
(1S,2R,4S)-4-acetamido-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-2-(hydroxymethyl)cyclopentane-1-carboxamide
CID 170330228
trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 170330440
(5R)-1-benzyl-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580766
N-[(1R,3R)-3-[[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]carbamoyl]cyclopentyl]oxetane-3-carboxamide
CID 170580644
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 170579105
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide
CID 170581301
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-1-(pyridin-3-ylmethylsulfonyl)pyrrolidine-3-carboxamide
CID 170580737
N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide
CID 170330311
[(1R,2R)-1-tert-butyl-4-[[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]carbamoyl]-2-hydroxycyclopentyl] carbamate
CID 177248784

Frequently Asked Questions

What is the IUPAC name of CID 170580865?
The IUPAC name of CID 170580865 (CID 170580865) is not available.
What is the SMILES notation for CID 170580865?
The canonical SMILES for CID 170580865 is CC1(C(NC(=O)C2CC(NC(=O)Cc3ccccc3)C2)c2c(F)ccc(Cl)c2Cl)CCCC1.C[Sb].
What is the InChIKey of CID 170580865?
The InChIKey is CPBNMGNRRHARMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2FN2O2.CH3.Sb/c1-26(11-5-6-12-26)24(22-20(29)10-9-19(27)23(22)28)31-25(33)17-14-18(15-17)30-21(32)13-16-7-3-2-4-8-16;;/h2-4,7-10,17-18,24H,5-6,11-15H2,1H3,(H,30,32)(H,31,33);1H3;.
What are the key properties of CID 170580865?
CID 170580865 has a molecular weight of 628.23 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170580865 is sourced from PubChem (CID 170580865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).