1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide

C15H20BrFN2O — CID 119341116

IUPAC1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)C1(N)CCCC1
InChIInChI=1S/C15H20BrFN2O/c1-10(8-11-4-5-13(17)12(16)9-11)19-14(20)15(18)6-2-3-7-15/h4-5,9-10H,2-3,6-8,18H2,1H3,(H,19,20)
InChIKeySJIFOGRUMOYYDN-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.91
Rot. Bonds4

About 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide

1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide (PubChem CID 119341116) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
PubChem CID119341116
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC(Cc1ccc(F)c(Br)c1)NC(=O)C1(N)CCCC1
InChIInChI=1S/C15H20BrFN2O/c1-10(8-11-4-5-13(17)12(16)9-11)19-14(20)15(18)6-2-3-7-15/h4-5,9-10H,2-3,6-8,18H2,1H3,(H,19,20)
InChIKeySJIFOGRUMOYYDN-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802
1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119295658
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]butanamide;hydrochloride
CID 119814244
7-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]heptanamide;hydrochloride
CID 119814208
2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
4-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120593966
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119814216
3-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119952337

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide (CID 119341116) is 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide is CC(Cc1ccc(F)c(Br)c1)NC(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is SJIFOGRUMOYYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-10(8-11-4-5-13(17)12(16)9-11)19-14(20)15(18)6-2-3-7-15/h4-5,9-10H,2-3,6-8,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 343.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119341116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).