N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide

C22H21N3O2 — CID 108867378

IUPACN-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c1-16(26)23-19-12-14-20(15-13-19)24-22(27)25-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,1H3,(H,23,26)(H2,24,25,27)
InChIKeyRWXNEUQERWSUDF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.56
Rot. Bonds5

About N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide

N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide (PubChem CID 108867378) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
PubChem CID108867378
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c1-16(26)23-19-12-14-20(15-13-19)24-22(27)25-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,1H3,(H,23,26)(H2,24,25,27)
InChIKeyRWXNEUQERWSUDF-UHFFFAOYSA-N
XLogP4.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
4-(benzhydrylcarbamoylamino)benzenesulfonic acid
CID 108867379
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
1-benzhydryl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871724
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
1-benzhydryl-3-(4-decoxyphenyl)urea
CID 4304974
[3-(benzhydrylcarbamoylamino)phenyl] acetate
CID 108865115
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
cobalt;N-phenylacetamide
CID 158689050
1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide (CID 108867378) is N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide?
The InChIKey is RWXNEUQERWSUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(26)23-19-12-14-20(15-13-19)24-22(27)25-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,1H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide?
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 108867378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).