2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide

C22H21ClN2O2 — CID 4788903

IUPAC2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(14-19(20)23)25-21(26)15-24-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22,24H,15H2,1H3,(H,25,26)
InChIKeyRLMQKDXUHVOHKL-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.67
Rot. Bonds7

About 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 4788903) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID4788903
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(14-19(20)23)25-21(26)15-24-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22,24H,15H2,1H3,(H,25,26)
InChIKeyRLMQKDXUHVOHKL-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 4788903) is 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is RLMQKDXUHVOHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(14-19(20)23)25-21(26)15-24-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22,24H,15H2,1H3,(H,25,26).
What are the key properties of 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 380.88 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 4788903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).