2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide

C18H19ClFNO2 — CID 90599502

IUPAC2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(F)cc1Cl)(OC)c1ccccc1
InChIInChI=1S/C18H19ClFNO2/c1-3-18(23-2,13-7-5-4-6-8-13)12-21-17(22)15-10-9-14(20)11-16(15)19/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyDQIMNCJNZGXFGB-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.16
Rot. Bonds6

About 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide

2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide (PubChem CID 90599502) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
PubChem CID90599502
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(F)cc1Cl)(OC)c1ccccc1
InChIInChI=1S/C18H19ClFNO2/c1-3-18(23-2,13-7-5-4-6-8-13)12-21-17(22)15-10-9-14(20)11-16(15)19/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyDQIMNCJNZGXFGB-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
2-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497973
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488
2,4-dimethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599515
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599726
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea
CID 90599796
benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 27711239

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide (CID 90599502) is 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(F)cc1Cl)(OC)c1ccccc1.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide?
The InChIKey is DQIMNCJNZGXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-3-18(23-2,13-7-5-4-6-8-13)12-21-17(22)15-10-9-14(20)11-16(15)19/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide?
2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide has a molecular weight of 335.81 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide is sourced from PubChem (CID 90599502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).