2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide

C17H16ClF2NO — CID 3527786

IUPAC2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H16ClF2NO/c1-11(7-8-12-5-3-2-4-6-12)21-17(22)13-9-15(19)16(20)10-14(13)18/h2-6,9-11H,7-8H2,1H3,(H,21,22)
InChIKeyTUULCBKLXIJTJL-UHFFFAOYSA-N
MW323.77 g/mol
LogP4.37
Rot. Bonds5

About 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide

2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 3527786) has the molecular formula C17H16ClF2NO and a molecular weight of 323.77 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
PubChem CID3527786
Molecular FormulaC17H16ClF2NO
Molecular Weight323.77 g/mol
Exact Mass323.09
IUPAC Name2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H16ClF2NO/c1-11(7-8-12-5-3-2-4-6-12)21-17(22)13-9-15(19)16(20)10-14(13)18/h2-6,9-11H,7-8H2,1H3,(H,21,22)
InChIKeyTUULCBKLXIJTJL-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-chloro-4,5-difluorobenzoate
CID 7382593
2-chloro-4,5-difluoro-N-[4-(furan-2-yl)-4-oxobutan-2-yl]benzamide
CID 122148768
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 51072684
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
4-chloro-2-nitro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1122066
5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 844836
4-(benzenesulfonamido)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93486708
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide (CID 3527786) is 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is TUULCBKLXIJTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO/c1-11(7-8-12-5-3-2-4-6-12)21-17(22)13-9-15(19)16(20)10-14(13)18/h2-6,9-11H,7-8H2,1H3,(H,21,22).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide?
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 323.77 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 3527786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).