4-amino-2-chloro-N-(3-hydroxypropyl)benzamide

C10H13ClN2O2 — CID 43167675

IUPAC4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(C(=O)NCCCO)c(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c11-9-6-7(12)2-3-8(9)10(15)13-4-1-5-14/h2-3,6,14H,1,4-5,12H2,(H,13,15)
InChIKeyZUNDMJXULNVCNK-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.03
Rot. Bonds4

About 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide

4-amino-2-chloro-N-(3-hydroxypropyl)benzamide (PubChem CID 43167675) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
PubChem CID43167675
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(C(=O)NCCCO)c(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c11-9-6-7(12)2-3-8(9)10(15)13-4-1-5-14/h2-3,6,14H,1,4-5,12H2,(H,13,15)
InChIKeyZUNDMJXULNVCNK-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-hex-5-ynylbenzamide
CID 106208110
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61237813
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
CID 115739020
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide (CID 43167675) is 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide is Nc1ccc(C(=O)NCCCO)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide?
The InChIKey is ZUNDMJXULNVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-9-6-7(12)2-3-8(9)10(15)13-4-1-5-14/h2-3,6,14H,1,4-5,12H2,(H,13,15).
What are the key properties of 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide?
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide has a molecular weight of 228.68 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 43167675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).