N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide

C17H17ClFNO — CID 62511498

IUPACN-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
SMILESCCC(NC(=O)c1cc(C)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClFNO/c1-3-16(12-5-4-6-13(18)10-12)20-17(21)14-9-11(2)7-8-15(14)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyRCHJXWUIWUIZQR-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.67
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide

N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide (PubChem CID 62511498) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
PubChem CID62511498
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
SMILESCCC(NC(=O)c1cc(C)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClFNO/c1-3-16(12-5-4-6-13(18)10-12)20-17(21)14-9-11(2)7-8-15(14)19/h4-10,16H,3H2,1-2H3,(H,20,21)
InChIKeyRCHJXWUIWUIZQR-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide (CID 62511498) is N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide is CCC(NC(=O)c1cc(C)ccc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide?
The InChIKey is RCHJXWUIWUIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-3-16(12-5-4-6-13(18)10-12)20-17(21)14-9-11(2)7-8-15(14)19/h4-10,16H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide?
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide has a molecular weight of 305.78 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62511498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).