N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide

C16H15ClFNO2 — CID 114304802

IUPACN-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(C)Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2/c1-10(17)12-5-3-4-6-14(12)19-16(20)11-7-8-13(18)15(9-11)21-2/h3-10H,1-2H3,(H,19,20)
InChIKeySCVIGFWCKPAIOQ-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.39
Rot. Bonds4

About N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide

N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide (PubChem CID 114304802) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide
PubChem CID114304802
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(C)Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2/c1-10(17)12-5-3-4-6-14(12)19-16(20)11-7-8-13(18)15(9-11)21-2/h3-10H,1-2H3,(H,19,20)
InChIKeySCVIGFWCKPAIOQ-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 82879237
3-bromo-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 107956691
N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
CID 114304807
N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 114304843
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79737436
N-[2-(1-chloroethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 114304788
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
N-[2-(1-chloroethyl)phenyl]-4-(dimethylamino)benzamide
CID 114304830
4-fluoro-N-(3-iodophenyl)-3-methoxybenzamide
CID 80948390
N-[2-(1-chloroethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107016832
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 130882674

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide (CID 114304802) is N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ccccc2C(C)Cl)ccc1F.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is SCVIGFWCKPAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(17)12-5-3-4-6-14(12)19-16(20)11-7-8-13(18)15(9-11)21-2/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide?
N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 307.75 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 114304802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).