4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide

C13H19ClN2O3 — CID 119790445

IUPAC4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)CCCO
InChIInChI=1S/C13H19ClN2O3/c1-8(4-3-5-17)16-13(18)9-6-10(14)11(15)7-12(9)19-2/h6-8,17H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyXDRVRXYICGZELQ-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.82
Rot. Bonds6

About 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide

4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide (PubChem CID 119790445) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
PubChem CID119790445
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)CCCO
InChIInChI=1S/C13H19ClN2O3/c1-8(4-3-5-17)16-13(18)9-6-10(14)11(15)7-12(9)19-2/h6-8,17H,3-5,15H2,1-2H3,(H,16,18)
InChIKeyXDRVRXYICGZELQ-UHFFFAOYSA-N
XLogP1.82
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
CID 119804080
2-amino-N-(5-hydroxypentan-2-yl)-3,5-dimethoxybenzamide
CID 115950760
2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide
CID 110027430
4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 119742833
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 119801767
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
CID 98541747

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide (CID 119790445) is 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NC(C)CCCO.
What is the InChIKey of 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide?
The InChIKey is XDRVRXYICGZELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-8(4-3-5-17)16-13(18)9-6-10(14)11(15)7-12(9)19-2/h6-8,17H,3-5,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide?
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide has a molecular weight of 286.76 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 119790445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).