N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide

C25H29ClN2O2 — CID 163623846

IUPACN-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C25H29ClN2O2/c26-23-16-20(24(29)27-17-18-7-3-1-4-8-18)12-11-19(23)15-21-13-14-28(25(21)30)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,16,21-22H,2,5-6,9-10,13-15,17H2,(H,27,29)
InChIKeyHQKHDOOFVQCEMS-UHFFFAOYSA-N
MW424.97 g/mol
LogP4.99
Rot. Bonds6

About N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide

N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide (PubChem CID 163623846) has the molecular formula C25H29ClN2O2 and a molecular weight of 424.97 g/mol. Its IUPAC name is N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide
PubChem CID163623846
Molecular FormulaC25H29ClN2O2
Molecular Weight424.97 g/mol
Exact Mass424.19
IUPAC NameN-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C25H29ClN2O2/c26-23-16-20(24(29)27-17-18-7-3-1-4-8-18)12-11-19(23)15-21-13-14-28(25(21)30)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,16,21-22H,2,5-6,9-10,13-15,17H2,(H,27,29)
InChIKeyHQKHDOOFVQCEMS-UHFFFAOYSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenoxy]methyl]benzoic acid
CID 11955702
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
3-[(2-chloro-4-piperidin-1-ylphenyl)methyl]-1-cyclohexylpyrrolidin-2-one
CID 59299346
3-[[2-chloro-4-[2-(4-methylpiperazine-1-carbonyl)phenyl]phenyl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 59299338
tert-butyl 3-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoate
CID 59299462
3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one
CID 11637879
1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 11695680
2-[[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoyl]amino]-3-hydroxypropanoic acid
CID 143568172
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 86151500
methyl 4-[4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]-3-(trifluoromethyl)phenyl]benzoate
CID 66621699
3-[[2-(3-chloro-2-oxopropoxy)phenyl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 87681590
N-benzyl-5-methyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91809756

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide (CID 163623846) is N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide is O=C(NCc1ccccc1)c1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1.
What is the InChIKey of N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide?
The InChIKey is HQKHDOOFVQCEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O2/c26-23-16-20(24(29)27-17-18-7-3-1-4-8-18)12-11-19(23)15-21-13-14-28(25(21)30)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,16,21-22H,2,5-6,9-10,13-15,17H2,(H,27,29).
What are the key properties of N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide?
N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide has a molecular weight of 424.97 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 163623846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).