2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide

C19H18Cl2F2N2O3 — CID 55739220

IUPAC2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18Cl2F2N2O3/c1-11(24-17(26)14-4-3-5-15(20)16(14)21)18(27)25(2)10-12-6-8-13(9-7-12)28-19(22)23/h3-9,11,19H,10H2,1-2H3,(H,24,26)
InChIKeyLMQZZGJMONANQD-UHFFFAOYSA-N
MW431.27 g/mol
LogP4.37
Rot. Bonds7

About 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 55739220) has the molecular formula C19H18Cl2F2N2O3 and a molecular weight of 431.27 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID55739220
Molecular FormulaC19H18Cl2F2N2O3
Molecular Weight431.27 g/mol
Exact Mass430.07
IUPAC Name2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18Cl2F2N2O3/c1-11(24-17(26)14-4-3-5-15(20)16(14)21)18(27)25(2)10-12-6-8-13(9-7-12)28-19(22)23/h3-9,11,19H,10H2,1-2H3,(H,24,26)
InChIKeyLMQZZGJMONANQD-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
2-chloro-N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]benzamide
CID 8965792
3-[2-[(2,3-dichlorobenzoyl)amino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119228702
2,3-dichloro-N-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739251
N-[1-[(4-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 55742593
2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 78768765
3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115
N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide (CID 55739220) is 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is LMQZZGJMONANQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N2O3/c1-11(24-17(26)14-4-3-5-15(20)16(14)21)18(27)25(2)10-12-6-8-13(9-7-12)28-19(22)23/h3-9,11,19H,10H2,1-2H3,(H,24,26).
What are the key properties of 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 431.27 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55739220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).