4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide

C15H12Cl2FN3O2 — CID 156854289

IUPAC4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)cc1NC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H12Cl2FN3O2/c1-19-14(22)12-3-2-8(16)6-13(12)21-15(23)20-11-5-9(17)4-10(18)7-11/h2-7H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyCUJVZYUYOVGNJJ-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.14
Rot. Bonds3

About 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide

4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide (PubChem CID 156854289) has the molecular formula C15H12Cl2FN3O2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
PubChem CID156854289
Molecular FormulaC15H12Cl2FN3O2
Molecular Weight356.18 g/mol
Exact Mass355.03
IUPAC Name4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)cc1NC(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H12Cl2FN3O2/c1-19-14(22)12-3-2-8(16)6-13(12)21-15(23)20-11-5-9(17)4-10(18)7-11/h2-7H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyCUJVZYUYOVGNJJ-UHFFFAOYSA-N
XLogP4.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-(3-hydroxypropyl)benzamide
CID 166747486
N-(2-aminoethyl)-4-chloro-2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854312
4-chloro-2-[(3-fluorophenyl)carbamoylamino]-N-(2-hydroxyethyl)benzamide
CID 156854180
N-(2-aminoethyl)-4-chloro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854090
N-(3-chloro-5-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676875
1-(3,5-difluorophenyl)-3-[5-fluoro-2-(hydrazinecarbonyl)phenyl]urea
CID 156854203
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
N-(3-chloro-5-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671680
1-[4-(1-aminoethyl)phenyl]-3-(3-chloro-5-fluorophenyl)urea
CID 107370312
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide (CID 156854289) is 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)cc1NC(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide?
The InChIKey is CUJVZYUYOVGNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3O2/c1-19-14(22)12-3-2-8(16)6-13(12)21-15(23)20-11-5-9(17)4-10(18)7-11/h2-7H,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide?
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide has a molecular weight of 356.18 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 156854289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).