4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride

C16H26Cl2N2O2 — CID 119796577

IUPAC4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)CCC(C)(C)C.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-10(6-7-16(2,3)4)19-15(20)11-8-12(17)13(18)9-14(11)21-5;/h8-10H,6-7,18H2,1-5H3,(H,19,20);1H
InChIKeyFFSPOCZTBMXIGU-UHFFFAOYSA-N
MW349.30 g/mol
LogP4.30
Rot. Bonds5

About 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride

4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride (PubChem CID 119796577) has the molecular formula C16H26Cl2N2O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
PubChem CID119796577
Molecular FormulaC16H26Cl2N2O2
Molecular Weight349.30 g/mol
Exact Mass348.14
IUPAC Name4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)CCC(C)(C)C.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-10(6-7-16(2,3)4)19-15(20)11-8-12(17)13(18)9-14(11)21-5;/h8-10H,6-7,18H2,1-5H3,(H,19,20);1H
InChIKeyFFSPOCZTBMXIGU-UHFFFAOYSA-N
XLogP4.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
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
3,3-dimethylbutyl 4-amino-5-chloro-2-methoxybenzoate
CID 60733590
4-amino-5-chloro-2-methoxy-N-(1-phenylmethoxypropan-2-yl)benzamide
CID 119804080
4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 119742833
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride (CID 119796577) is 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NC(C)CCC(C)(C)C.Cl.
What is the InChIKey of 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride?
The InChIKey is FFSPOCZTBMXIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2.ClH/c1-10(6-7-16(2,3)4)19-15(20)11-8-12(17)13(18)9-14(11)21-5;/h8-10H,6-7,18H2,1-5H3,(H,19,20);1H.
What are the key properties of 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride?
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride has a molecular weight of 349.30 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119796577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).