1-[2-(4-benzoylanilino)phenyl]-3-propylurea

C23H23N3O2 — CID 18358241

IUPAC1-[2-(4-benzoylanilino)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c1-2-16-24-23(28)26-21-11-7-6-10-20(21)25-19-14-12-18(13-15-19)22(27)17-8-4-3-5-9-17/h3-15,25H,2,16H2,1H3,(H2,24,26,28)
InChIKeyCNCCIXVSTNKJNB-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.19
Rot. Bonds7

About 1-[2-(4-benzoylanilino)phenyl]-3-propylurea

1-[2-(4-benzoylanilino)phenyl]-3-propylurea (PubChem CID 18358241) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[2-(4-benzoylanilino)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(4-benzoylanilino)phenyl]-3-propylurea
PubChem CID18358241
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-[2-(4-benzoylanilino)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c1-2-16-24-23(28)26-21-11-7-6-10-20(21)25-19-14-12-18(13-15-19)22(27)17-8-4-3-5-9-17/h3-15,25H,2,16H2,1H3,(H2,24,26,28)
InChIKeyCNCCIXVSTNKJNB-UHFFFAOYSA-N
XLogP5.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzoylanilino)phenyl]acetamide
CID 18358189
1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea
CID 5272992
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
CID 17180735
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-(2-nitrophenyl)-3-propylurea
CID 31682023
3-methyl-4-(propylcarbamoylamino)benzoic acid
CID 28785867
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
ethyl N-(2-anilinophenyl)carbamate
CID 12930175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzoylanilino)phenyl]-3-propylurea?
The IUPAC name of 1-[2-(4-benzoylanilino)phenyl]-3-propylurea (CID 18358241) is 1-[2-(4-benzoylanilino)phenyl]-3-propylurea.
What is the SMILES notation for 1-[2-(4-benzoylanilino)phenyl]-3-propylurea?
The canonical SMILES for 1-[2-(4-benzoylanilino)phenyl]-3-propylurea is CCCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-benzoylanilino)phenyl]-3-propylurea?
The InChIKey is CNCCIXVSTNKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-16-24-23(28)26-21-11-7-6-10-20(21)25-19-14-12-18(13-15-19)22(27)17-8-4-3-5-9-17/h3-15,25H,2,16H2,1H3,(H2,24,26,28).
What are the key properties of 1-[2-(4-benzoylanilino)phenyl]-3-propylurea?
1-[2-(4-benzoylanilino)phenyl]-3-propylurea has a molecular weight of 373.46 g/mol, XLogP of 5.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzoylanilino)phenyl]-3-propylurea is sourced from PubChem (CID 18358241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).