N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide

C30H27ClN2O2 — CID 92987150

IUPACN-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
SMILESC[C@@H](NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H27ClN2O2/c1-22(25-10-6-3-7-11-25)32-29(34)20-23-12-18-28(19-13-23)33(21-24-8-4-2-5-9-24)30(35)26-14-16-27(31)17-15-26/h2-19,22H,20-21H2,1H3,(H,32,34)/t22-/m1/s1
InChIKeyOKBMVVDREKESOY-JOCHJYFZSA-N
MW483.01 g/mol
LogP6.61
Rot. Bonds8

About N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide

N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide (PubChem CID 92987150) has the molecular formula C30H27ClN2O2 and a molecular weight of 483.01 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
PubChem CID92987150
Molecular FormulaC30H27ClN2O2
Molecular Weight483.01 g/mol
Exact Mass482.18
IUPAC NameN-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
SMILESC[C@@H](NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C30H27ClN2O2/c1-22(25-10-6-3-7-11-25)32-29(34)20-23-12-18-28(19-13-23)33(21-24-8-4-2-5-9-24)30(35)26-14-16-27(31)17-15-26/h2-19,22H,20-21H2,1H3,(H,32,34)/t22-/m1/s1
InChIKeyOKBMVVDREKESOY-JOCHJYFZSA-N
XLogP6.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
CID 46052536
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052688
N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134036301

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide (CID 92987150) is N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide is C[C@@H](NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The InChIKey is OKBMVVDREKESOY-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H27ClN2O2/c1-22(25-10-6-3-7-11-25)32-29(34)20-23-12-18-28(19-13-23)33(21-24-8-4-2-5-9-24)30(35)26-14-16-27(31)17-15-26/h2-19,22H,20-21H2,1H3,(H,32,34)/t22-/m1/s1.
What are the key properties of N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide has a molecular weight of 483.01 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 92987150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).