2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide

C17H16ClFN2O2 — CID 7962908

IUPAC2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1F
InChIInChI=1S/C17H16ClFN2O2/c1-11-6-7-12(10-15(11)19)21-16(22)8-9-20-17(23)13-4-2-3-5-14(13)18/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyYRXIDLYMFPPTAO-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.55
Rot. Bonds5

About 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide

2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide (PubChem CID 7962908) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
PubChem CID7962908
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1F
InChIInChI=1S/C17H16ClFN2O2/c1-11-6-7-12(10-15(11)19)21-16(22)8-9-20-17(23)13-4-2-3-5-14(13)18/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyYRXIDLYMFPPTAO-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
CID 9300768
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-2-chlorobenzamide
CID 78874678
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
N-[3-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46616261
tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate
CID 9210708
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide
CID 40599620
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide (CID 7962908) is 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide is Cc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1F.
What is the InChIKey of 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide?
The InChIKey is YRXIDLYMFPPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-11-6-7-12(10-15(11)19)21-16(22)8-9-20-17(23)13-4-2-3-5-14(13)18/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide?
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide has a molecular weight of 334.78 g/mol, XLogP of 3.55, 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-fluoro-4-methylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 7962908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).