4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide

C18H18ClN3O2 — CID 17180528

IUPAC4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
SMILESCc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-11-15(19)3-2-4-16(11)22-18(24)21-14-7-5-12(6-8-14)17(23)20-13-9-10-13/h2-8,13H,9-10H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyNJUUDGXOBMLOFF-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.18
Rot. Bonds4

About 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide

4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide (PubChem CID 17180528) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
PubChem CID17180528
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
SMILESCc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-11-15(19)3-2-4-16(11)22-18(24)21-14-7-5-12(6-8-14)17(23)20-13-9-10-13/h2-8,13H,9-10H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyNJUUDGXOBMLOFF-UHFFFAOYSA-N
XLogP4.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54814827
4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991783
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
CID 17299431
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17180897
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
N'-(3-chloro-2-methylphenyl)-N-(4-ethylcyclohexyl)oxamide
CID 124670787

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide (CID 17180528) is 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide is Cc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide?
The InChIKey is NJUUDGXOBMLOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-15(19)3-2-4-16(11)22-18(24)21-14-7-5-12(6-8-14)17(23)20-13-9-10-13/h2-8,13H,9-10H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide?
4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide has a molecular weight of 343.81 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 17180528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).