2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide

C12H14ClNO4 — CID 123584135

IUPAC2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide
SMILESCOc1cc(Cl)c(C(=O)NCC(C)=O)cc1OC
InChIInChI=1S/C12H14ClNO4/c1-7(15)6-14-12(16)8-4-10(17-2)11(18-3)5-9(8)13/h4-5H,6H2,1-3H3,(H,14,16)
InChIKeyMKEYIKCJSZPOHL-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.68
Rot. Bonds5

About 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide

2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide (PubChem CID 123584135) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide
PubChem CID123584135
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide
SMILESCOc1cc(Cl)c(C(=O)NCC(C)=O)cc1OC
InChIInChI=1S/C12H14ClNO4/c1-7(15)6-14-12(16)8-4-10(17-2)11(18-3)5-9(8)13/h4-5H,6H2,1-3H3,(H,14,16)
InChIKeyMKEYIKCJSZPOHL-UHFFFAOYSA-N
XLogP1.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
N-[2-(ethylamino)-2-oxoethyl]-2,4,5-trimethoxybenzamide
CID 9224367
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299
2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
CID 12883877
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
CID 117432206
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
N-(2-aminoethyl)-4,5-dichloro-2-methoxybenzamide;hydrochloride
CID 119384245

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide?
The IUPAC name of 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide (CID 123584135) is 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide?
The canonical SMILES for 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide is COc1cc(Cl)c(C(=O)NCC(C)=O)cc1OC.
What is the InChIKey of 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide?
The InChIKey is MKEYIKCJSZPOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-7(15)6-14-12(16)8-4-10(17-2)11(18-3)5-9(8)13/h4-5H,6H2,1-3H3,(H,14,16).
What are the key properties of 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide?
2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide has a molecular weight of 271.70 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethoxy-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 123584135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).