N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide

C20H17ClN2O — CID 112982578

IUPACN-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-17-8-6-15(7-9-17)14-22-18-10-12-19(13-11-18)23-20(24)16-4-2-1-3-5-16/h1-13,22H,14H2,(H,23,24)
InChIKeyRLRORMLEUGOFIM-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.20
Rot. Bonds5

About N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide

N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide (PubChem CID 112982578) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
PubChem CID112982578
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC NameN-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-17-8-6-15(7-9-17)14-22-18-10-12-19(13-11-18)23-20(24)16-4-2-1-3-5-16/h1-13,22H,14H2,(H,23,24)
InChIKeyRLRORMLEUGOFIM-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
N-benzyl-4-chloroaniline chloride
CID 45109713
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983148
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide (CID 112982578) is N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide is O=C(Nc1ccc(NCc2ccc(Cl)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide?
The InChIKey is RLRORMLEUGOFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-17-8-6-15(7-9-17)14-22-18-10-12-19(13-11-18)23-20(24)16-4-2-1-3-5-16/h1-13,22H,14H2,(H,23,24).
What are the key properties of N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide?
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide has a molecular weight of 336.82 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide is sourced from PubChem (CID 112982578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).