3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H19ClN2O4 — CID 9301224

IUPAC3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(C)C)cc(Cl)c1OC
InChIInChI=1S/C14H19ClN2O4/c1-8(2)17-12(18)7-16-14(19)9-5-10(15)13(21-4)11(6-9)20-3/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyIIFQSGNCJRYPAG-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.61
Rot. Bonds6

About 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 9301224) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID9301224
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Name3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(C)C)cc(Cl)c1OC
InChIInChI=1S/C14H19ClN2O4/c1-8(2)17-12(18)7-16-14(19)9-5-10(15)13(21-4)11(6-9)20-3/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyIIFQSGNCJRYPAG-UHFFFAOYSA-N
XLogP1.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 41276636
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide
CID 103759053
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7362805
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
(2R)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 80748225

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 9301224) is 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is COc1cc(C(=O)NCC(=O)NC(C)C)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is IIFQSGNCJRYPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-8(2)17-12(18)7-16-14(19)9-5-10(15)13(21-4)11(6-9)20-3/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 314.77 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 9301224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).