4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide

C19H21ClN2O3 — CID 119714813

IUPAC4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-24-18-11-17(21)16(20)10-15(18)19(23)22-12-6-8-14(9-7-12)25-13-4-2-3-5-13/h6-11,13H,2-5,21H2,1H3,(H,22,23)
InChIKeyUGXRFUQWSSRTMY-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.50
Rot. Bonds5

About 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide

4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide (PubChem CID 119714813) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide
PubChem CID119714813
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O3/c1-24-18-11-17(21)16(20)10-15(18)19(23)22-12-6-8-14(9-7-12)25-13-4-2-3-5-13/h6-11,13H,2-5,21H2,1H3,(H,22,23)
InChIKeyUGXRFUQWSSRTMY-UHFFFAOYSA-N
XLogP4.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]phenoxy]butanoate;hydrochloride
CID 119784217
4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
CID 119841244
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 22145674
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
N-(4-cyclopentyloxyphenyl)-2,5-dimethylbenzamide
CID 38454818
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide (CID 119714813) is 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide?
The InChIKey is UGXRFUQWSSRTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-18-11-17(21)16(20)10-15(18)19(23)22-12-6-8-14(9-7-12)25-13-4-2-3-5-13/h6-11,13H,2-5,21H2,1H3,(H,22,23).
What are the key properties of 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide?
4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide has a molecular weight of 360.84 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(4-cyclopentyloxyphenyl)-2-methoxybenzamide is sourced from PubChem (CID 119714813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).