4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide

C14H18ClNO3 — CID 103606116

IUPAC4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
SMILESO=C(NCCCOCC1CC1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H18ClNO3/c15-11-4-5-12(13(17)8-11)14(18)16-6-1-7-19-9-10-2-3-10/h4-5,8,10,17H,1-3,6-7,9H2,(H,16,18)
InChIKeyFIOQQFFZHAGOHQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.59
Rot. Bonds7

About 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide

4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide (PubChem CID 103606116) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
PubChem CID103606116
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
SMILESO=C(NCCCOCC1CC1)c1ccc(Cl)cc1O
InChIInChI=1S/C14H18ClNO3/c15-11-4-5-12(13(17)8-11)14(18)16-6-1-7-19-9-10-2-3-10/h4-5,8,10,17H,1-3,6-7,9H2,(H,16,18)
InChIKeyFIOQQFFZHAGOHQ-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.59
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-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 103741684
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-4-methoxybenzamide
CID 56783961
4-chloro-N-(2-cyclopentyloxyethyl)-2-hydroxybenzamide
CID 55151514
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
CID 60668843
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
CID 107322316
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
CID 18168914

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide (CID 103606116) is 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide is O=C(NCCCOCC1CC1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide?
The InChIKey is FIOQQFFZHAGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-11-4-5-12(13(17)8-11)14(18)16-6-1-7-19-9-10-2-3-10/h4-5,8,10,17H,1-3,6-7,9H2,(H,16,18).
What are the key properties of 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide?
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide has a molecular weight of 283.75 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 103606116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).