N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide

C12H14ClF2NO2 — CID 55186682

IUPACN-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide
SMILESCOCC(Cl)CN(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14ClF2NO2/c1-16(6-8(13)7-18-2)12(17)10-4-3-9(14)5-11(10)15/h3-5,8H,6-7H2,1-2H3
InChIKeyPOSQPPXSTSVLEZ-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.29
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide

N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide (PubChem CID 55186682) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide
PubChem CID55186682
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC NameN-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide
SMILESCOCC(Cl)CN(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14ClF2NO2/c1-16(6-8(13)7-18-2)12(17)10-4-3-9(14)5-11(10)15/h3-5,8H,6-7H2,1-2H3
InChIKeyPOSQPPXSTSVLEZ-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-chloro-3-methoxypropyl)-4-fluoro-N-methylbenzamide
CID 55186683
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
5-bromo-N-(2-chloro-3-methoxypropyl)-N,2-dimethylbenzamide
CID 65309176
N-(2-chloro-3-methoxypropyl)-4-hydroxy-N-methylbenzamide
CID 63398005
N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
CID 63397918
N-(2-bromo-3-methoxypropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885157
5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 63397906
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
N-(2-bromo-3-methoxypropyl)-2-fluoro-N,5-dimethylbenzamide
CID 80671755
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide (CID 55186682) is N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide is COCC(Cl)CN(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide?
The InChIKey is POSQPPXSTSVLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c1-16(6-8(13)7-18-2)12(17)10-4-3-9(14)5-11(10)15/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide?
N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide has a molecular weight of 277.70 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 55186682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).