N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide

C18H20ClN3O3 — CID 47033008

IUPACN-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O3/c1-11(13-5-4-6-14(19)9-13)20-18(24)22-16-10-15(21-12(2)23)7-8-17(16)25-3/h4-11H,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyYMVSXBBJHRPRPI-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.19
Rot. Bonds5

About N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide

N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide (PubChem CID 47033008) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
PubChem CID47033008
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O3/c1-11(13-5-4-6-14(19)9-13)20-18(24)22-16-10-15(21-12(2)23)7-8-17(16)25-3/h4-11H,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyYMVSXBBJHRPRPI-UHFFFAOYSA-N
XLogP4.19
TPSA79.46 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 ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 8599537
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
N-[4-methoxy-3-[(2-methyl-1-phenylpropyl)carbamoylamino]phenyl]acetamide
CID 47033000
N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
CID 95775570
2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 51243795
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
N-[4-methoxy-3-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505927
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide (CID 47033008) is N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide?
The InChIKey is YMVSXBBJHRPRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11(13-5-4-6-14(19)9-13)20-18(24)22-16-10-15(21-12(2)23)7-8-17(16)25-3/h4-11H,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide?
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide has a molecular weight of 361.83 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 47033008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).