N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide

C17H17Cl2N3O2 — CID 108991040

IUPACN-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-11(23)21-14-3-2-4-15(10-14)22-17(24)20-8-7-12-5-6-13(18)9-16(12)19/h2-6,9-10H,7-8H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyWDNPXJUSEPHOPN-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.32
Rot. Bonds5

About N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide

N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 108991040) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
PubChem CID108991040
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-11(23)21-14-3-2-4-15(10-14)22-17(24)20-8-7-12-5-6-13(18)9-16(12)19/h2-6,9-10H,7-8H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyWDNPXJUSEPHOPN-UHFFFAOYSA-N
XLogP4.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
CID 109033478
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N'-(3-acetylphenyl)-N-[2-(2,4-dichlorophenyl)ethyl]oxamide
CID 108986646
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424
3-acetamido-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 17397210
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
CID 110372008
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2-(3-acetylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 109007008
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide (CID 108991040) is N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is WDNPXJUSEPHOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-11(23)21-14-3-2-4-15(10-14)22-17(24)20-8-7-12-5-6-13(18)9-16(12)19/h2-6,9-10H,7-8H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide?
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide has a molecular weight of 366.25 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108991040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).