1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea

C14H13ClN4O — CID 2014

IUPAC1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
SMILES[H]/N=C(\N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN4O/c15-10-3-7-12(8-4-10)19-14(20)18-11-5-1-9(2-6-11)13(16)17/h1-8H,(H3,16,17)(H2,18,19,20)
InChIKeyHQWKMDKTTCPCMQ-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea

1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea (PubChem CID 2014) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
PubChem CID2014
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
SMILES[H]/N=C(\N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN4O/c15-10-3-7-12(8-4-10)19-14(20)18-11-5-1-9(2-6-11)13(16)17/h1-8H,(H3,16,17)(H2,18,19,20)
InChIKeyHQWKMDKTTCPCMQ-UHFFFAOYSA-N
XLogP3.27
TPSA91.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
4-[1-[2-[(4-carbamimidoylphenyl)carbamoylamino]anilino]ethyl]-N-[4-(4-chlorophenoxy)phenyl]benzamide
CID 20635163
N,N'-bis(4-carbamimidoylphenyl)dodecanediamide
CID 46883527
N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
CID 15954191
2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-4-chlorobenzoic acid
CID 22626426
ethyl 3-[[3-[(4-carbamimidoylphenyl)carbamoylamino]-3-(4-chlorophenyl)propanoyl]amino]propanoate
CID 57040009
4-[3-[4-(4-chlorobenzoyl)phenyl]prop-2-ynylamino]benzenecarboximidamide
CID 18405041
1-(4-chlorophenyl)-3-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea
CID 123405772
N-(4-carbamimidoylphenyl)-2,3,3-trimethylbutanamide
CID 143855441
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea (CID 2014) is 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea is [H]/N=C(\N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea?
The InChIKey is HQWKMDKTTCPCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-10-3-7-12(8-4-10)19-14(20)18-11-5-1-9(2-6-11)13(16)17/h1-8H,(H3,16,17)(H2,18,19,20).
What are the key properties of 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea?
1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea has a molecular weight of 288.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 2014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).