N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide

C29H25ClN2O2 — CID 46045826

IUPACN-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1
InChIInChI=1S/C29H25ClN2O2/c30-26-15-13-25(14-16-26)29(34)32(21-24-9-5-2-6-10-24)27-17-11-22(12-18-27)19-28(33)31-20-23-7-3-1-4-8-23/h1-18H,19-21H2,(H,31,33)
InChIKeyWXMPLJKFQCOMTJ-UHFFFAOYSA-N
MW468.98 g/mol
LogP6.05
Rot. Bonds8

About N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide

N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide (PubChem CID 46045826) has the molecular formula C29H25ClN2O2 and a molecular weight of 468.98 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
PubChem CID46045826
Molecular FormulaC29H25ClN2O2
Molecular Weight468.98 g/mol
Exact Mass468.16
IUPAC NameN-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1
InChIInChI=1S/C29H25ClN2O2/c30-26-15-13-25(14-16-26)29(34)32(21-24-9-5-2-6-10-24)27-17-11-22(12-18-27)19-28(33)31-20-23-7-3-1-4-8-23/h1-18H,19-21H2,(H,31,33)
InChIKeyWXMPLJKFQCOMTJ-UHFFFAOYSA-N
XLogP6.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.98
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46045761
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
2-[4-[(N-benzoyl-4-chloroanilino)methyl]phenoxy]acetic acid
CID 127028520
N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide
CID 46052531
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 46046079
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide?
The IUPAC name of N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide (CID 46045826) is N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide is O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide?
The InChIKey is WXMPLJKFQCOMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O2/c30-26-15-13-25(14-16-26)29(34)32(21-24-9-5-2-6-10-24)27-17-11-22(12-18-27)19-28(33)31-20-23-7-3-1-4-8-23/h1-18H,19-21H2,(H,31,33).
What are the key properties of N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide?
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide has a molecular weight of 468.98 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 46045826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).