2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide

C22H21ClN2O2 — CID 2685495

IUPAC2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(23)14-19(20)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)
InChIKeyDZYREVOWAYBPOT-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.67
Rot. Bonds7

About 2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 2685495) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID2685495
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(23)14-19(20)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)
InChIKeyDZYREVOWAYBPOT-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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Related Compounds

BX-471 free base
CID 512282
N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
1-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)-3-(2-aminoethyl)urea
CID 12112109
4-{2-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10928520
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
N-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 2440804
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3302526
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 4875488
2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
CID 954220

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 2685495) is 2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is DZYREVOWAYBPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-27-20-13-12-18(23)14-19(20)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-(5-chloro-2-methoxyphenyl)acetamide?
2-(benzhydrylamino)-N-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 2685495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).