N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide

C17H18ClN3O4 — CID 108992307

IUPACN-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClN3O4/c1-10(22)19-11-4-6-12(7-5-11)20-17(23)21-14-9-15(24-2)13(18)8-16(14)25-3/h4-9H,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyKZNSQPHECLRAQJ-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.96
Rot. Bonds5

About N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide

N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide (PubChem CID 108992307) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
PubChem CID108992307
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC NameN-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClN3O4/c1-10(22)19-11-4-6-12(7-5-11)20-17(23)21-14-9-15(24-2)13(18)8-16(14)25-3/h4-9H,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyKZNSQPHECLRAQJ-UHFFFAOYSA-N
XLogP3.96
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
CID 3006462
[3-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865332
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 55942705
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide (CID 108992307) is N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide is COc1cc(NC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)cc1Cl.
What is the InChIKey of N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide?
The InChIKey is KZNSQPHECLRAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-10(22)19-11-4-6-12(7-5-11)20-17(23)21-14-9-15(24-2)13(18)8-16(14)25-3/h4-9H,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide?
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide has a molecular weight of 363.80 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108992307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).