N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide

C16H13ClFNO — CID 110441685

IUPACN-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO/c17-13-3-1-2-12(10-13)16(8-9-16)19-15(20)11-4-6-14(18)7-5-11/h1-7,10H,8-9H2,(H,19,20)
InChIKeyPBCSEZFMVKMNGG-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.90
Rot. Bonds3

About N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide

N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide (PubChem CID 110441685) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
PubChem CID110441685
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC NameN-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO/c17-13-3-1-2-12(10-13)16(8-9-16)19-15(20)11-4-6-14(18)7-5-11/h1-7,10H,8-9H2,(H,19,20)
InChIKeyPBCSEZFMVKMNGG-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444805
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
N-[1-(3-chlorophenyl)cyclopropyl]-2-methoxybenzamide
CID 110443934
N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
CID 136515658
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide (CID 110441685) is N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide is O=C(NC1(c2cccc(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide?
The InChIKey is PBCSEZFMVKMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13-3-1-2-12(10-13)16(8-9-16)19-15(20)11-4-6-14(18)7-5-11/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide?
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide has a molecular weight of 289.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide is sourced from PubChem (CID 110441685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).