3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide

C17H23ClN2O — CID 170580293

IUPAC3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)C1
InChIInChI=1S/C17H23ClN2O/c18-14-7-3-6-12(8-14)16(11-4-1-2-5-11)20-17(21)13-9-15(19)10-13/h3,6-8,11,13,15-16H,1-2,4-5,9-10,19H2,(H,20,21)/t13?,15?,16-/m0/s1
InChIKeySQCKECQZZNTFJA-BCLQGDPASA-N
MW306.84 g/mol
LogP3.42
Rot. Bonds4

About 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide

3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide (PubChem CID 170580293) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
PubChem CID170580293
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)C1
InChIInChI=1S/C17H23ClN2O/c18-14-7-3-6-12(8-14)16(11-4-1-2-5-11)20-17(21)13-9-15(19)10-13/h3,6-8,11,13,15-16H,1-2,4-5,9-10,19H2,(H,20,21)/t13?,15?,16-/m0/s1
InChIKeySQCKECQZZNTFJA-BCLQGDPASA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
CID 69089641
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
CID 170580686
(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580436
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170330258
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide (CID 170580293) is 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide is NC1CC(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)C1.
What is the InChIKey of 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide?
The InChIKey is SQCKECQZZNTFJA-BCLQGDPASA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-14-7-3-6-12(8-14)16(11-4-1-2-5-11)20-17(21)13-9-15(19)10-13/h3,6-8,11,13,15-16H,1-2,4-5,9-10,19H2,(H,20,21)/t13?,15?,16-/m0/s1.
What are the key properties of 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide?
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide has a molecular weight of 306.84 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 170580293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).