3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide

C14H18ClNO4 — CID 66005162

IUPAC3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2CC(O)C2)cc(Cl)c1OC
InChIInChI=1S/C14H18ClNO4/c1-19-12-6-9(5-11(15)13(12)20-2)14(18)16-7-8-3-10(17)4-8/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyDPPYKGCJINNCBE-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.86
Rot. Bonds5

About 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide

3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide (PubChem CID 66005162) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide
PubChem CID66005162
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2CC(O)C2)cc(Cl)c1OC
InChIInChI=1S/C14H18ClNO4/c1-19-12-6-9(5-11(15)13(12)20-2)14(18)16-7-8-3-10(17)4-8/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18)
InChIKeyDPPYKGCJINNCBE-UHFFFAOYSA-N
XLogP1.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.86
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
2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66004828
3-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxybenzamide
CID 8759633
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
N-[(3-hydroxycyclobutyl)methyl]-2,6-dimethoxybenzamide
CID 66004920
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide (CID 66005162) is 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide is COc1cc(C(=O)NCC2CC(O)C2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide?
The InChIKey is DPPYKGCJINNCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-19-12-6-9(5-11(15)13(12)20-2)14(18)16-7-8-3-10(17)4-8/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide?
3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide has a molecular weight of 299.75 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-hydroxycyclobutyl)methyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 66005162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).