2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide

C23H29ClN2O2 — CID 143249927

IUPAC2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide
SMILESCCN(C)C1(C(NC(=O)c2cc(OC)ccc2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C23H29ClN2O2/c1-4-26(2)23(14-8-9-15-23)21(17-10-6-5-7-11-17)25-22(27)19-16-18(28-3)12-13-20(19)24/h5-7,10-13,16,21H,4,8-9,14-15H2,1-3H3,(H,25,27)
InChIKeyVBNHVEHDBKCNBC-UHFFFAOYSA-N
MW400.95 g/mol
LogP5.08
Rot. Bonds7

About 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide

2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide (PubChem CID 143249927) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide
PubChem CID143249927
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC Name2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide
SMILESCCN(C)C1(C(NC(=O)c2cc(OC)ccc2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C23H29ClN2O2/c1-4-26(2)23(14-8-9-15-23)21(17-10-6-5-7-11-17)25-22(27)19-16-18(28-3)12-13-20(19)24/h5-7,10-13,16,21H,4,8-9,14-15H2,1-3H3,(H,25,27)
InChIKeyVBNHVEHDBKCNBC-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
CID 11539036
2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide
CID 59347931
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
CID 11711197
N-[[1-(dimethylamino)cyclopentyl]-(4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 11710660
N-[[1-[iodomethyl(methyl)amino]cyclopentyl]-phenylmethyl]-2,6-dimethylbenzamide
CID 89169823
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
1-(2-chloro-5-methoxyphenyl)-2-phenylbutan-1-one
CID 146009638
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11669990

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide?
The IUPAC name of 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide (CID 143249927) is 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide is CCN(C)C1(C(NC(=O)c2cc(OC)ccc2Cl)c2ccccc2)CCCC1.
What is the InChIKey of 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide?
The InChIKey is VBNHVEHDBKCNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-4-26(2)23(14-8-9-15-23)21(17-10-6-5-7-11-17)25-22(27)19-16-18(28-3)12-13-20(19)24/h5-7,10-13,16,21H,4,8-9,14-15H2,1-3H3,(H,25,27).
What are the key properties of 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide?
2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide has a molecular weight of 400.95 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide is sourced from PubChem (CID 143249927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).