2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide

C16H12Cl3F2NO — CID 125465133

IUPAC2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(F)(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3F2NO/c1-9(22-15(23)11-4-2-3-5-13(11)18)16(20,21)12-7-6-10(17)8-14(12)19/h2-9H,1H3,(H,22,23)/t9-/m0/s1
InChIKeyYWOFBLCVDCFKCK-VIFPVBQESA-N
MW378.63 g/mol
LogP5.56
Rot. Bonds4

About 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide

2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide (PubChem CID 125465133) has the molecular formula C16H12Cl3F2NO and a molecular weight of 378.63 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide
PubChem CID125465133
Molecular FormulaC16H12Cl3F2NO
Molecular Weight378.63 g/mol
Exact Mass377.00
IUPAC Name2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(F)(F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3F2NO/c1-9(22-15(23)11-4-2-3-5-13(11)18)16(20,21)12-7-6-10(17)8-14(12)19/h2-9H,1H3,(H,22,23)/t9-/m0/s1
InChIKeyYWOFBLCVDCFKCK-VIFPVBQESA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide
CID 125464994
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2-chloro-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,2-trifluoroethyl]benzamide
CID 51925040
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
N-[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 8927833
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide (CID 125465133) is 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide is C[C@H](NC(=O)c1ccccc1Cl)C(F)(F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide?
The InChIKey is YWOFBLCVDCFKCK-VIFPVBQESA-N. The full InChI is InChI=1S/C16H12Cl3F2NO/c1-9(22-15(23)11-4-2-3-5-13(11)18)16(20,21)12-7-6-10(17)8-14(12)19/h2-9H,1H3,(H,22,23)/t9-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide has a molecular weight of 378.63 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-(2,4-dichlorophenyl)-1,1-difluoropropan-2-yl]benzamide is sourced from PubChem (CID 125465133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).