6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide

C25H27ClN2O — CID 11711197

IUPAC6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
SMILESCN(C)C1(C(NC(=O)c2cccc3cc(Cl)ccc23)c2ccccc2)CCCC1
InChIInChI=1S/C25H27ClN2O/c1-28(2)25(15-6-7-16-25)23(18-9-4-3-5-10-18)27-24(29)22-12-8-11-19-17-20(26)13-14-21(19)22/h3-5,8-14,17,23H,6-7,15-16H2,1-2H3,(H,27,29)
InChIKeyGQRVOCDHGQHWNW-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.84
Rot. Bonds5

About 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide

6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide (PubChem CID 11711197) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
PubChem CID11711197
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC Name6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
SMILESCN(C)C1(C(NC(=O)c2cccc3cc(Cl)ccc23)c2ccccc2)CCCC1
InChIInChI=1S/C25H27ClN2O/c1-28(2)25(15-6-7-16-25)23(18-9-4-3-5-10-18)27-24(29)22-12-8-11-19-17-20(26)13-14-21(19)22/h3-5,8-14,17,23H,6-7,15-16H2,1-2H3,(H,27,29)
InChIKeyGQRVOCDHGQHWNW-UHFFFAOYSA-N
XLogP5.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
CID 11539036
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide
CID 11689547
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide
CID 59347931
N-[[1-(dimethylamino)cyclohexyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11576123
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-8-methyl-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11683926
2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide
CID 143249927
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
CID 11654079
6-chloronaphthalene-1-carboxylic acid
CID 13288328
N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide
CID 143249938

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide?
The IUPAC name of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide (CID 11711197) is 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide is CN(C)C1(C(NC(=O)c2cccc3cc(Cl)ccc23)c2ccccc2)CCCC1.
What is the InChIKey of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide?
The InChIKey is GQRVOCDHGQHWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O/c1-28(2)25(15-6-7-16-25)23(18-9-4-3-5-10-18)27-24(29)22-12-8-11-19-17-20(26)13-14-21(19)22/h3-5,8-14,17,23H,6-7,15-16H2,1-2H3,(H,27,29).
What are the key properties of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide?
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide has a molecular weight of 406.96 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11711197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).