3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide

C17H18ClN3O2 — CID 17197361

IUPAC3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2/c1-11(2)19-16(22)12-4-3-5-15(10-12)21-17(23)20-14-8-6-13(18)7-9-14/h3-11H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyYRNLOEPUTKRJJS-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.12
Rot. Bonds4

About 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide

3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide (PubChem CID 17197361) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
PubChem CID17197361
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClN3O2/c1-11(2)19-16(22)12-4-3-5-15(10-12)21-17(23)20-14-8-6-13(18)7-9-14/h3-11H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyYRNLOEPUTKRJJS-UHFFFAOYSA-N
XLogP4.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 17197560
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
3-chloro-N-propan-2-ylbenzamide
CID 669184
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54813153
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197387

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide (CID 17197361) is 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
The InChIKey is YRNLOEPUTKRJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(2)19-16(22)12-4-3-5-15(10-12)21-17(23)20-14-8-6-13(18)7-9-14/h3-11H,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide?
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide has a molecular weight of 331.80 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).