N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide

C16H13ClF2N2O2 — CID 108571424

IUPACN-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
SMILESO=C(NCCNC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClF2N2O2/c17-11-3-1-2-10(8-11)15(22)20-6-7-21-16(23)13-5-4-12(18)9-14(13)19/h1-5,8-9H,6-7H2,(H,20,22)(H,21,23)
InChIKeyCNXCSOJXAQAIGD-UHFFFAOYSA-N
MW338.74 g/mol
LogP2.78
Rot. Bonds5

About N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide

N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide (PubChem CID 108571424) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
PubChem CID108571424
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
SMILESO=C(NCCNC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClF2N2O2/c17-11-3-1-2-10(8-11)15(22)20-6-7-21-16(23)13-5-4-12(18)9-14(13)19/h1-5,8-9H,6-7H2,(H,20,22)(H,21,23)
InChIKeyCNXCSOJXAQAIGD-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573338
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide (CID 108571424) is N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide is O=C(NCCNC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide?
The InChIKey is CNXCSOJXAQAIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c17-11-3-1-2-10(8-11)15(22)20-6-7-21-16(23)13-5-4-12(18)9-14(13)19/h1-5,8-9H,6-7H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide?
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide has a molecular weight of 338.74 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 108571424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).