2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

C16H13ClF2N2O2 — CID 35364807

IUPAC2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-20-15(22)6-9-2-4-10(5-3-9)21-16(23)11-7-13(18)14(19)8-12(11)17/h2-5,7-8H,6H2,1H3,(H,20,22)(H,21,23)
InChIKeyMBLOPFJCCCTCJL-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.16
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (PubChem CID 35364807) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
PubChem CID35364807
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC Name2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCNC(=O)Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-20-15(22)6-9-2-4-10(5-3-9)21-16(23)11-7-13(18)14(19)8-12(11)17/h2-5,7-8H,6H2,1H3,(H,20,22)(H,21,23)
InChIKeyMBLOPFJCCCTCJL-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38403308
N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
CID 117044896
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
4-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424117
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
CID 1252541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (CID 35364807) is 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is CNC(=O)Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is MBLOPFJCCCTCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-20-15(22)6-9-2-4-10(5-3-9)21-16(23)11-7-13(18)14(19)8-12(11)17/h2-5,7-8H,6H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 338.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 35364807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).