cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide

C14H16ClF3N2O — CID 143080621

IUPACcis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CC[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16ClF3N2O/c15-12-4-1-8(5-11(12)14(16,17)18)7-20-10-3-2-9(6-10)13(19)21/h1,4-5,9-10,20H,2-3,6-7H2,(H2,19,21)/t9-,10+/m0/s1
InChIKeyZPIXFVFSYCNZLT-VHSXEESVSA-N
MW320.74 g/mol
LogP3.10
Rot. Bonds4

About cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide

cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide (PubChem CID 143080621) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
PubChem CID143080621
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Namecis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CC[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16ClF3N2O/c15-12-4-1-8(5-11(12)14(16,17)18)7-20-10-3-2-9(6-10)13(19)21/h1,4-5,9-10,20H,2-3,6-7H2,(H2,19,21)/t9-,10+/m0/s1
InChIKeyZPIXFVFSYCNZLT-VHSXEESVSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
CID 115523776
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
CID 43433251
5-[[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]methyl]thiophene-2-carboxamide
CID 166373289
4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
CID 117219993
2-chloro-4-[(cyclopropylamino)methyl]benzoic acid
CID 117219988
5-[(cyclopentylamino)methyl]-2-(trifluoromethyl)benzoic acid
CID 117221551
N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 67148430
ethyl 4-[(3-bromo-4-chlorophenyl)methylamino]cyclohexane-1-carboxylate
CID 83232807
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
3-[[(4-carbamoylcyclohexyl)amino]methyl]-4-fluorobenzoic acid
CID 107452622
2-amino-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanamide
CID 70925766
4-[(2-chloro-5-nitrophenyl)methylamino]cyclohexane-1-carboxamide
CID 43748824

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide (CID 143080621) is cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide is NC(=O)[C@H]1CC[C@@H](NCc2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide?
The InChIKey is ZPIXFVFSYCNZLT-VHSXEESVSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-12-4-1-8(5-11(12)14(16,17)18)7-20-10-3-2-9(6-10)13(19)21/h1,4-5,9-10,20H,2-3,6-7H2,(H2,19,21)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide?
cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide has a molecular weight of 320.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 143080621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).