5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide

C19H20ClN3O3 — CID 70850879

IUPAC5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide
SMILESCC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1
InChIInChI=1S/C19H20ClN3O3/c1-11(24)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10H,1-3H3,(H2,21,25)(H2,22,23,26)
InChIKeyPTPXOEDNFHJBRH-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.70
Rot. Bonds5

About 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide

5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide (PubChem CID 70850879) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide
PubChem CID70850879
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide
SMILESCC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1
InChIInChI=1S/C19H20ClN3O3/c1-11(24)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10H,1-3H3,(H2,21,25)(H2,22,23,26)
InChIKeyPTPXOEDNFHJBRH-UHFFFAOYSA-N
XLogP3.70
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Acetylphenyl)-N'-(3-chlorophenyl)urea
CID 734393
2-Chloro-N,N-Dimethyl-5-[({2-[3-(Prop-1-En-2-Yl)phenyl]propan-2-Yl}carbamoyl)amino]benzamide
CID 71450059
2-Chloro-5-{[(2-{3-[(1e)-N-Hydroxyethanimidoyl]phenyl}propan-2-Yl)carbamoyl]amino}benzamide
CID 71460873
2-Chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzamide
CID 616498
1-(4-Acetylphenyl)-3-(4-chlorophenyl)urea
CID 721943
5-(Acetylamino)-2-chlorobenzamide
CID 793682
N-(4-acetylphenyl)-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 883336
1-[1-(3-Acetylphenyl)-1-methyl-ethyl]-3-(4-chlorophenyl)urea
CID 70850877
1-[1-(3-Acetylphenyl)ethyl]-3-(4-chlorophenyl)urea
CID 70850942
2-Chloro-5-[[1-methyl-1-(3-phenylphenyl)ethyl]carbamoylamino]benzamide
CID 70850944
1-[1-(3-Acetylphenyl)-1-methyl-ethyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 70851059
2-chloro-5-[[1-(3-isopropenylphenyl)-1-methyl-ethyl]carbamoylamino]-N-methyl-benzamide
CID 71453701

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide?
The IUPAC name of 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide (CID 70850879) is 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide.
What is the SMILES notation for 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide?
The canonical SMILES for 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide is CC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1.
What is the InChIKey of 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide?
The InChIKey is PTPXOEDNFHJBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-11(24)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10H,1-3H3,(H2,21,25)(H2,22,23,26).
What are the key properties of 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide?
5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide has a molecular weight of 373.84 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-acetylphenyl)propan-2-ylcarbamoylamino]-2-chlorobenzamide is sourced from PubChem (CID 70850879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).