2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide

C19H18Cl2N2O2 — CID 87026452

IUPAC2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C19H18Cl2N2O2/c20-13-3-1-2-12(10-13)4-9-18(24)22-15-7-8-17(21)16(11-15)19(25)23-14-5-6-14/h1-3,7-8,10-11,14H,4-6,9H2,(H,22,24)(H,23,25)
InChIKeyHEIQHTKJNRGWTE-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.46
Rot. Bonds6

About 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide

2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide (PubChem CID 87026452) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
PubChem CID87026452
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C19H18Cl2N2O2/c20-13-3-1-2-12(10-13)4-9-18(24)22-15-7-8-17(21)16(11-15)19(25)23-14-5-6-14/h1-3,7-8,10-11,14H,4-6,9H2,(H,22,24)(H,23,25)
InChIKeyHEIQHTKJNRGWTE-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 87026477
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
2-chloro-N-cyclopropyl-5-(3-phenylsulfanylpropanoylamino)benzamide
CID 87026412
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-N-cyclohexyl-5-(3-phenylpropanoylcarbamothioylamino)benzamide
CID 17188686
3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 47142765
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398
2-chloro-4-[3-(3-chlorophenoxy)propanoylamino]-N-cyclopropylbenzamide
CID 55805438
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide?
The IUPAC name of 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide (CID 87026452) is 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide is O=C(CCc1cccc(Cl)c1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide?
The InChIKey is HEIQHTKJNRGWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c20-13-3-1-2-12(10-13)4-9-18(24)22-15-7-8-17(21)16(11-15)19(25)23-14-5-6-14/h1-3,7-8,10-11,14H,4-6,9H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide?
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide has a molecular weight of 377.27 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 87026452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).