4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide

C18H20ClN3O3 — CID 48798148

IUPAC4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)NCCc2ccc(O)cc2)c1
InChIInChI=1S/C18H20ClN3O3/c1-22(2)17(24)13-5-8-15(19)16(11-13)21-18(25)20-10-9-12-3-6-14(23)7-4-12/h3-8,11,23H,9-10H2,1-2H3,(H2,20,21,25)
InChIKeyIPOWKSVHDYACDS-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.11
Rot. Bonds5

About 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide

4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide (PubChem CID 48798148) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide
PubChem CID48798148
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)NCCc2ccc(O)cc2)c1
InChIInChI=1S/C18H20ClN3O3/c1-22(2)17(24)13-5-8-15(19)16(11-13)21-18(25)20-10-9-12-3-6-14(23)7-4-12/h3-8,11,23H,9-10H2,1-2H3,(H2,20,21,25)
InChIKeyIPOWKSVHDYACDS-UHFFFAOYSA-N
XLogP3.11
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[2-(4-fluorophenyl)ethylcarbamoylamino]benzoate
CID 108989193
4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 61475929
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
methyl 4-chloro-3-[2-(dimethylamino)ethylcarbamoylamino]benzoate
CID 108988233
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide (CID 48798148) is 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)NCCc2ccc(O)cc2)c1.
What is the InChIKey of 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide?
The InChIKey is IPOWKSVHDYACDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-22(2)17(24)13-5-8-15(19)16(11-13)21-18(25)20-10-9-12-3-6-14(23)7-4-12/h3-8,11,23H,9-10H2,1-2H3,(H2,20,21,25).
What are the key properties of 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide?
4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 361.83 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(4-hydroxyphenyl)ethylcarbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 48798148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).