2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide

C18H21ClN2O4 — CID 168640663

IUPAC2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCC(O)CCl)cc1OC
InChIInChI=1S/C18H21ClN2O4/c1-24-16-8-7-12(9-17(16)25-2)21-18(23)14-5-3-4-6-15(14)20-11-13(22)10-19/h3-9,13,20,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyMHNBEHSOCAJLKQ-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.97
Rot. Bonds8

About 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide

2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide (PubChem CID 168640663) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
PubChem CID168640663
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCC(O)CCl)cc1OC
InChIInChI=1S/C18H21ClN2O4/c1-24-16-8-7-12(9-17(16)25-2)21-18(23)14-5-3-4-6-15(14)20-11-13(22)10-19/h3-9,13,20,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyMHNBEHSOCAJLKQ-UHFFFAOYSA-N
XLogP2.97
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-methylpropylcarbamoylamino)benzamide
CID 110609641
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-[(3-chloro-2-hydroxypropyl)amino]-N-methylbenzamide
CID 168640662
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
2-[(1-amino-2-chloroethylidene)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 169369448
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107622226
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
CID 55843901
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138
methyl 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]acetate
CID 168637909

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide?
The IUPAC name of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide (CID 168640663) is 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NCC(O)CCl)cc1OC.
What is the InChIKey of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide?
The InChIKey is MHNBEHSOCAJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-24-16-8-7-12(9-17(16)25-2)21-18(23)14-5-3-4-6-15(14)20-11-13(22)10-19/h3-9,13,20,22H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide?
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide has a molecular weight of 364.83 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 168640663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).