N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide

C18H20ClNO4 — CID 110291508

IUPACN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-18(22,13-5-7-14(19)8-6-13)11-20-17(21)12-4-9-15(23-2)16(10-12)24-3/h4-10,22H,11H2,1-3H3,(H,20,21)
InChIKeyURDHCIRQHFQHAK-UHFFFAOYSA-N
MW349.81 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide (PubChem CID 110291508) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
PubChem CID110291508
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-18(22,13-5-7-14(19)8-6-13)11-20-17(21)12-4-9-15(23-2)16(10-12)24-3/h4-10,22H,11H2,1-3H3,(H,20,21)
InChIKeyURDHCIRQHFQHAK-UHFFFAOYSA-N
XLogP2.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide (CID 110291508) is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(C)(O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide?
The InChIKey is URDHCIRQHFQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-18(22,13-5-7-14(19)8-6-13)11-20-17(21)12-4-9-15(23-2)16(10-12)24-3/h4-10,22H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide?
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide has a molecular weight of 349.81 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 110291508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).