N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide

C11H12ClFN2O3 — CID 75391958

IUPACN-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide
SMILESCOCC(NC(=O)c1cccc(Cl)c1F)C(N)=O
InChIInChI=1S/C11H12ClFN2O3/c1-18-5-8(10(14)16)15-11(17)6-3-2-4-7(12)9(6)13/h2-4,8H,5H2,1H3,(H2,14,16)(H,15,17)
InChIKeyKHLJGCOCWRPBCP-UHFFFAOYSA-N
MW274.68 g/mol
LogP0.71
Rot. Bonds5

About N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide

N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide (PubChem CID 75391958) has the molecular formula C11H12ClFN2O3 and a molecular weight of 274.68 g/mol. Its IUPAC name is N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide
PubChem CID75391958
Molecular FormulaC11H12ClFN2O3
Molecular Weight274.68 g/mol
Exact Mass274.05
IUPAC NameN-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide
SMILESCOCC(NC(=O)c1cccc(Cl)c1F)C(N)=O
InChIInChI=1S/C11H12ClFN2O3/c1-18-5-8(10(14)16)15-11(17)6-3-2-4-7(12)9(6)13/h2-4,8H,5H2,1H3,(H2,14,16)(H,15,17)
InChIKeyKHLJGCOCWRPBCP-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-chloro-2-fluorobenzamide
CID 81262458
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106354949
(2R)-2-[(3-chloro-2-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926381
3-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902215
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
(2R)-2-[(3-chloro-2-fluorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894207
N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106183792
methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
CID 81462130
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]-4-bromo-2,5-dimethylbenzamide
CID 97253044
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 97062302

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide (CID 75391958) is N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide is COCC(NC(=O)c1cccc(Cl)c1F)C(N)=O.
What is the InChIKey of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide?
The InChIKey is KHLJGCOCWRPBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3/c1-18-5-8(10(14)16)15-11(17)6-3-2-4-7(12)9(6)13/h2-4,8H,5H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide?
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide has a molecular weight of 274.68 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxy-1-oxopropan-2-yl)-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 75391958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).