5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide

C12H16ClNO3 — CID 96665044

IUPAC5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(Cl)cc1C(=O)NCCCO
InChIInChI=1S/C12H16ClNO3/c1-8-6-11(17-2)9(7-10(8)13)12(16)14-4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyHSVKDLDXAVBLFA-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.77
Rot. Bonds5

About 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide

5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide (PubChem CID 96665044) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
PubChem CID96665044
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(Cl)cc1C(=O)NCCCO
InChIInChI=1S/C12H16ClNO3/c1-8-6-11(17-2)9(7-10(8)13)12(16)14-4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyHSVKDLDXAVBLFA-UHFFFAOYSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
N-(2-aminoethyl)-4,5-dichloro-2-methoxybenzamide;hydrochloride
CID 119384245
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide?
The IUPAC name of 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide (CID 96665044) is 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide?
The canonical SMILES for 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide is COc1cc(C)c(Cl)cc1C(=O)NCCCO.
What is the InChIKey of 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide?
The InChIKey is HSVKDLDXAVBLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8-6-11(17-2)9(7-10(8)13)12(16)14-4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide?
5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide has a molecular weight of 257.72 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 96665044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).