4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide

C18H19ClFNO — CID 100565359

IUPAC4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19ClFNO/c1-4-17(13-6-5-11(2)12(3)9-13)21-18(22)15-8-7-14(19)10-16(15)20/h5-10,17H,4H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeyPRNQHZZLQGOLSJ-QGZVFWFLSA-N
MW319.81 g/mol
LogP4.98
Rot. Bonds4

About 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide

4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide (PubChem CID 100565359) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
PubChem CID100565359
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19ClFNO/c1-4-17(13-6-5-11(2)12(3)9-13)21-18(22)15-8-7-14(19)10-16(15)20/h5-10,17H,4H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeyPRNQHZZLQGOLSJ-QGZVFWFLSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276
2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133161430
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132654231
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
CID 99999779
2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132656541
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51317758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide (CID 100565359) is 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(C)c(C)c1.
What is the InChIKey of 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide?
The InChIKey is PRNQHZZLQGOLSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClFNO/c1-4-17(13-6-5-11(2)12(3)9-13)21-18(22)15-8-7-14(19)10-16(15)20/h5-10,17H,4H2,1-3H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide?
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide has a molecular weight of 319.81 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide is sourced from PubChem (CID 100565359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).