N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide

C22H21ClN2O2 — CID 54821696

IUPACN-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O2/c23-21-9-5-4-8-18(21)14-25-22(26)15-24-19-10-12-20(13-11-19)27-16-17-6-2-1-3-7-17/h1-13,24H,14-16H2,(H,25,26)
InChIKeyGZQRIIBWKGLTQL-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.65
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide

N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide (PubChem CID 54821696) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide
PubChem CID54821696
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O2/c23-21-9-5-4-8-18(21)14-25-22(26)15-24-19-10-12-20(13-11-19)27-16-17-6-2-1-3-7-17/h1-13,24H,14-16H2,(H,25,26)
InChIKeyGZQRIIBWKGLTQL-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
2-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999304
N-[4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]propanamide
CID 54835495
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844214

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide (CID 54821696) is N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide is O=C(CNc1ccc(OCc2ccccc2)cc1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide?
The InChIKey is GZQRIIBWKGLTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-21-9-5-4-8-18(21)14-25-22(26)15-24-19-10-12-20(13-11-19)27-16-17-6-2-1-3-7-17/h1-13,24H,14-16H2,(H,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide has a molecular weight of 380.88 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 54821696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).