N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide

C21H19ClN2O — CID 112982542

IUPACN-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C21H19ClN2O/c22-20-9-5-4-8-17(20)15-23-18-10-12-19(13-11-18)24-21(25)14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,24,25)
InChIKeyAGBTVURMUTTXDG-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.13
Rot. Bonds6

About N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide

N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide (PubChem CID 112982542) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
PubChem CID112982542
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC NameN-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(NCc2ccccc2Cl)cc1
InChIInChI=1S/C21H19ClN2O/c22-20-9-5-4-8-17(20)15-23-18-10-12-19(13-11-18)24-21(25)14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,24,25)
InChIKeyAGBTVURMUTTXDG-UHFFFAOYSA-N
XLogP5.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43717390
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2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
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4-[(2-chlorophenyl)methylamino]phenol
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1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
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N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide (CID 112982542) is N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide?
The InChIKey is AGBTVURMUTTXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c22-20-9-5-4-8-17(20)15-23-18-10-12-19(13-11-18)24-21(25)14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,24,25).
What are the key properties of N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide?
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide has a molecular weight of 350.85 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 112982542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).