1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea

C16H14ClN3O2 — CID 71769328

IUPAC1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea
SMILESO=C(N/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2/c17-14-8-6-13(7-9-14)15(21)19-20-16(22)18-11-10-12-4-2-1-3-5-12/h1-11H,(H,19,21)(H2,18,20,22)/b11-10+
InChIKeyOOWVWQXOUFMQQU-ZHACJKMWSA-N
MW315.76 g/mol
LogP2.95
Rot. Bonds3

About 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea

1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea (PubChem CID 71769328) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea
PubChem CID71769328
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea
SMILESO=C(N/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2/c17-14-8-6-13(7-9-14)15(21)19-20-16(22)18-11-10-12-4-2-1-3-5-12/h1-11H,(H,19,21)(H2,18,20,22)/b11-10+
InChIKeyOOWVWQXOUFMQQU-ZHACJKMWSA-N
XLogP2.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
CID 174580380
N-[2-(4-hydroxyphenyl)ethenyl]benzamide
CID 571205
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
2-phenylethenylcarbamic acid
CID 151881054
2-[[(4-chlorobenzoyl)amino]carbamoylamino]acetic acid
CID 172764619
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea
CID 108903352
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide
CID 3837966

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea (CID 71769328) is 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea is O=C(N/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea?
The InChIKey is OOWVWQXOUFMQQU-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-14-8-6-13(7-9-14)15(21)19-20-16(22)18-11-10-12-4-2-1-3-5-12/h1-11H,(H,19,21)(H2,18,20,22)/b11-10+.
What are the key properties of 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea?
1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea has a molecular weight of 315.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 71769328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).