2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide

C18H17ClF2N2O3 — CID 42933502

IUPAC2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H17ClF2N2O3/c1-11(23-17(25)13-7-3-4-8-14(13)19)16(24)22-10-12-6-2-5-9-15(12)26-18(20)21/h2-9,11,18H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyQVZJVFMQUYIJSR-UHFFFAOYSA-N
MW382.79 g/mol
LogP3.38
Rot. Bonds7

About 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 42933502) has the molecular formula C18H17ClF2N2O3 and a molecular weight of 382.79 g/mol. Its IUPAC name is 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID42933502
Molecular FormulaC18H17ClF2N2O3
Molecular Weight382.79 g/mol
Exact Mass382.09
IUPAC Name2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C18H17ClF2N2O3/c1-11(23-17(25)13-7-3-4-8-14(13)19)16(24)22-10-12-6-2-5-9-15(12)26-18(20)21/h2-9,11,18H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyQVZJVFMQUYIJSR-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.79
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18091472
2-chloro-N-[(2S)-1-oxo-1-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 8969379
2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 18165007
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2-(difluoromethoxy)-N-(3-oxopentan-2-yl)benzamide
CID 64991633
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide (CID 42933502) is 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1Cl)C(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is QVZJVFMQUYIJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O3/c1-11(23-17(25)13-7-3-4-8-14(13)19)16(24)22-10-12-6-2-5-9-15(12)26-18(20)21/h2-9,11,18H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 382.79 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 42933502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).