N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide

C23H29ClN2O — CID 11689547

IUPACN-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccc(Cl)cc1)C1(N(C)C)CCCC1
InChIInChI=1S/C23H29ClN2O/c1-16-8-7-9-17(2)20(16)22(27)25-21(18-10-12-19(24)13-11-18)23(26(3)4)14-5-6-15-23/h7-13,21H,5-6,14-15H2,1-4H3,(H,25,27)
InChIKeyUYGCEMXFVHMGJD-UHFFFAOYSA-N
MW384.95 g/mol
LogP5.30
Rot. Bonds5

About N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide

N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide (PubChem CID 11689547) has the molecular formula C23H29ClN2O and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide
PubChem CID11689547
Molecular FormulaC23H29ClN2O
Molecular Weight384.95 g/mol
Exact Mass384.20
IUPAC NameN-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccc(Cl)cc1)C1(N(C)C)CCCC1
InChIInChI=1S/C23H29ClN2O/c1-16-8-7-9-17(2)20(16)22(27)25-21(18-10-12-19(24)13-11-18)23(26(3)4)14-5-6-15-23/h7-13,21H,5-6,14-15H2,1-4H3,(H,25,27)
InChIKeyUYGCEMXFVHMGJD-UHFFFAOYSA-N
XLogP5.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]-(4-fluorophenyl)methyl]-2,6-dimethylbenzamide
CID 11646365
N-[[1-(dimethylamino)cyclopentyl]-(4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 11710660
N-[[1-[iodomethyl(methyl)amino]cyclopentyl]-phenylmethyl]-2,6-dimethylbenzamide
CID 89169823
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
CID 11711197
2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide
CID 59347931
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
CID 11539036
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 23728869
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-8-methyl-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11683926
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
N-[(R)-(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
CID 67472519

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide (CID 11689547) is N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NC(c1ccc(Cl)cc1)C1(N(C)C)CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide?
The InChIKey is UYGCEMXFVHMGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O/c1-16-8-7-9-17(2)20(16)22(27)25-21(18-10-12-19(24)13-11-18)23(26(3)4)14-5-6-15-23/h7-13,21H,5-6,14-15H2,1-4H3,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide?
N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide has a molecular weight of 384.95 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 11689547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).