cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide

C12H14ClFN2O — CID 133116598

IUPACcis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
SMILESN[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C12H14ClFN2O/c13-10-4-3-9(6-11(10)14)16-12(17)7-1-2-8(15)5-7/h3-4,6-8H,1-2,5,15H2,(H,16,17)/t7-,8+/m1/s1
InChIKeyVGRZWPUMMWWQEC-SFYZADRCSA-N
MW256.71 g/mol
LogP2.55
Rot. Bonds2

About cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 133116598) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID133116598
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Namecis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
SMILESN[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C12H14ClFN2O/c13-10-4-3-9(6-11(10)14)16-12(17)7-1-2-8(15)5-7/h3-4,6-8H,1-2,5,15H2,(H,16,17)/t7-,8+/m1/s1
InChIKeyVGRZWPUMMWWQEC-SFYZADRCSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54928815
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
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4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
3-amino-N-(3,5-difluoro-4-iodophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119764593
3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
CID 66010185

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide (CID 133116598) is cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide is N[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is VGRZWPUMMWWQEC-SFYZADRCSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-4-3-9(6-11(10)14)16-12(17)7-1-2-8(15)5-7/h3-4,6-8H,1-2,5,15H2,(H,16,17)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 133116598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).