N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide

C17H15Cl2FN2O2 — CID 110625415

IUPACN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-3-1-2-11(8-12)4-7-16(23)21-10-17(24)22-13-5-6-15(20)14(19)9-13/h1-3,5-6,8-9H,4,7,10H2,(H,21,23)(H,22,24)
InChIKeyPKAHCDQUVXRYRN-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide (PubChem CID 110625415) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide
PubChem CID110625415
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC NameN-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-3-1-2-11(8-12)4-7-16(23)21-10-17(24)22-13-5-6-15(20)14(19)9-13/h1-3,5-6,8-9H,4,7,10H2,(H,21,23)(H,22,24)
InChIKeyPKAHCDQUVXRYRN-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
CID 110305568
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110625454
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
tert-butyl N-[2-[4-[3-(3-chlorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917038
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110305588
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-phenylpropanamide
CID 113001262
3-(3-chlorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 47142765

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide (CID 110625415) is N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide is O=C(CCc1cccc(Cl)c1)NCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide?
The InChIKey is PKAHCDQUVXRYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c18-12-3-1-2-11(8-12)4-7-16(23)21-10-17(24)22-13-5-6-15(20)14(19)9-13/h1-3,5-6,8-9H,4,7,10H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide?
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide has a molecular weight of 369.22 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 110625415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).