4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide

C18H18ClN3O2 — CID 17180530

IUPAC4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-11-2-5-13(19)10-16(11)22-18(24)21-15-6-3-12(4-7-15)17(23)20-14-8-9-14/h2-7,10,14H,8-9H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyHOLBBTGZVDRRSP-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.18
Rot. Bonds4

About 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide

4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide (PubChem CID 17180530) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
PubChem CID17180530
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
SMILESCc1ccc(Cl)cc1NC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-11-2-5-13(19)10-16(11)22-18(24)21-15-6-3-12(4-7-15)17(23)20-14-8-9-14/h2-7,10,14H,8-9H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyHOLBBTGZVDRRSP-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-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
4-[(3-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180528
4-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058338
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
CID 17180897
3-[(4-chlorophenyl)carbamoylamino]-4-methylbenzoate
CID 7657756
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide (CID 17180530) is 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide is Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide?
The InChIKey is HOLBBTGZVDRRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-2-5-13(19)10-16(11)22-18(24)21-15-6-3-12(4-7-15)17(23)20-14-8-9-14/h2-7,10,14H,8-9H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide?
4-[(5-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-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 17180530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).