1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea

C15H13Cl2N3O2 — CID 4205800

IUPAC1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea
SMILESCc1cccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-9-3-2-4-10(7-9)14(21)19-20-15(22)18-11-5-6-12(16)13(17)8-11/h2-8H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyWMMSCTYOBVWQIY-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.77
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea

1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea (PubChem CID 4205800) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea
PubChem CID4205800
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Name1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea
SMILESCc1cccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-9-3-2-4-10(7-9)14(21)19-20-15(22)18-11-5-6-12(16)13(17)8-11/h2-8H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyWMMSCTYOBVWQIY-UHFFFAOYSA-N
XLogP3.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.77
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

1-benzamido-3-(3-methylphenyl)urea
CID 19798346
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
1-(benzenecarbonothioylamino)-3-(3,4-dichlorophenyl)urea
CID 4198960
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
N-[4-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 23095316
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea (CID 4205800) is 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea is Cc1cccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea?
The InChIKey is WMMSCTYOBVWQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-9-3-2-4-10(7-9)14(21)19-20-15(22)18-11-5-6-12(16)13(17)8-11/h2-8H,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea?
1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea has a molecular weight of 338.19 g/mol, XLogP of 3.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(3-methylbenzoyl)amino]urea is sourced from PubChem (CID 4205800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).