N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide

C18H20FNO3 — CID 94474380

IUPACN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)c(OC)c1
InChIInChI=1S/C18H20FNO3/c1-12(10-13-6-4-5-7-16(13)19)20-18(21)15-9-8-14(22-2)11-17(15)23-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyXMCVCVGRYJMOSZ-LBPRGKRZSA-N
MW317.36 g/mol
LogP3.20
Rot. Bonds6

About N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide

N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide (PubChem CID 94474380) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
PubChem CID94474380
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)c(OC)c1
InChIInChI=1S/C18H20FNO3/c1-12(10-13-6-4-5-7-16(13)19)20-18(21)15-9-8-14(22-2)11-17(15)23-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyXMCVCVGRYJMOSZ-LBPRGKRZSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
CID 121127019
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,4-dimethoxybenzohydrazide
CID 9418010
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
CID 26907594
N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 103750968
3-methoxy-N-[(2S)-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 706056
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide (CID 94474380) is N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)c(OC)c1.
What is the InChIKey of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is XMCVCVGRYJMOSZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12(10-13-6-4-5-7-16(13)19)20-18(21)15-9-8-14(22-2)11-17(15)23-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide?
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 317.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 94474380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).