N-benzyl-2-(3-chloroanilino)-N-phenylacetamide

C21H19ClN2O — CID 109008444

IUPACN-benzyl-2-(3-chloroanilino)-N-phenylacetamide
SMILESO=C(CNc1cccc(Cl)c1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19ClN2O/c22-18-10-7-11-19(14-18)23-15-21(25)24(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14,23H,15-16H2
InChIKeyKOQPCZDZZTVGMF-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.99
Rot. Bonds6

About N-benzyl-2-(3-chloroanilino)-N-phenylacetamide

N-benzyl-2-(3-chloroanilino)-N-phenylacetamide (PubChem CID 109008444) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is N-benzyl-2-(3-chloroanilino)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloroanilino)-N-phenylacetamide
PubChem CID109008444
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC NameN-benzyl-2-(3-chloroanilino)-N-phenylacetamide
SMILESO=C(CNc1cccc(Cl)c1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19ClN2O/c22-18-10-7-11-19(14-18)23-15-21(25)24(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14,23H,15-16H2
InChIKeyKOQPCZDZZTVGMF-UHFFFAOYSA-N
XLogP4.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
N-benzyl-2-(2-chloroanilino)-N-phenylacetamide
CID 109008415
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
2-amino-N-[(4-chlorophenyl)methyl]-N-phenylacetamide
CID 39373717
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
1-(3-chloroanilino)propan-2-one
CID 21364413
2-(3-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25498931
N-benzyl-N-phenyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694139
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloroanilino)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(3-chloroanilino)-N-phenylacetamide (CID 109008444) is N-benzyl-2-(3-chloroanilino)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(3-chloroanilino)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(3-chloroanilino)-N-phenylacetamide is O=C(CNc1cccc(Cl)c1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(3-chloroanilino)-N-phenylacetamide?
The InChIKey is KOQPCZDZZTVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c22-18-10-7-11-19(14-18)23-15-21(25)24(20-12-5-2-6-13-20)16-17-8-3-1-4-9-17/h1-14,23H,15-16H2.
What are the key properties of N-benzyl-2-(3-chloroanilino)-N-phenylacetamide?
N-benzyl-2-(3-chloroanilino)-N-phenylacetamide has a molecular weight of 350.85 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-2-(3-chloroanilino)-N-phenylacetamide is sourced from PubChem (CID 109008444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).