2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide

C17H16Cl2N2O2 — CID 7915102

IUPAC2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-11-13(18)7-4-8-15(11)21-16(22)9-10-20-17(23)12-5-2-3-6-14(12)19/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyFLGZNHSUTLLPHW-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.06
Rot. Bonds5

About 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide

2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide (PubChem CID 7915102) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
PubChem CID7915102
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-11-13(18)7-4-8-15(11)21-16(22)9-10-20-17(23)12-5-2-3-6-14(12)19/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyFLGZNHSUTLLPHW-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
ethyl 2-[3-[(2-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7958134
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103398
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(3-chloro-2-methylphenyl)-3-[(N,N'-dimethylcarbamimidoyl)amino]propanamide
CID 110927766
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
3-(3-chloro-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033991
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
CID 7941475
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-ethoxy-3-methylbenzamide
CID 86938507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide (CID 7915102) is 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide is Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide?
The InChIKey is FLGZNHSUTLLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-13(18)7-4-8-15(11)21-16(22)9-10-20-17(23)12-5-2-3-6-14(12)19/h2-8H,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide?
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 7915102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).