N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide

C16H13ClF2N2O2 — CID 71977399

IUPACN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1F)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClF2N2O2/c1-16(15(20)23,9-3-2-4-10(17)7-9)21-14(22)12-6-5-11(18)8-13(12)19/h2-8H,1H3,(H2,20,23)(H,21,22)
InChIKeyHXAAPIGUHHOBBU-UHFFFAOYSA-N
MW338.74 g/mol
LogP2.75
Rot. Bonds4

About N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide

N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide (PubChem CID 71977399) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
PubChem CID71977399
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1F)(C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClF2N2O2/c1-16(15(20)23,9-3-2-4-10(17)7-9)21-14(22)12-6-5-11(18)8-13(12)19/h2-8H,1H3,(H2,20,23)(H,21,22)
InChIKeyHXAAPIGUHHOBBU-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide
CID 71862054
2-(3-chloroanilino)-2-(2,4-difluorophenyl)propanamide
CID 60996710
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
N-[(2S)-1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 97085555
4-chloro-2-fluoro-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884638
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 71862052

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide (CID 71977399) is N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide is CC(NC(=O)c1ccc(F)cc1F)(C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide?
The InChIKey is HXAAPIGUHHOBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-16(15(20)23,9-3-2-4-10(17)7-9)21-14(22)12-6-5-11(18)8-13(12)19/h2-8H,1H3,(H2,20,23)(H,21,22).
What are the key properties of N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide?
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide has a molecular weight of 338.74 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 71977399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).