N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide

C19H21ClN4O4 — CID 37128973

IUPACN-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN4O4/c1-24(11-17(25)21-15-5-3-4-13(20)10-15)12-18(26)23-19(27)22-14-6-8-16(28-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H2,22,23,26,27)
InChIKeyRBCOOGUUKVZYGN-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.57
Rot. Bonds7

About N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide

N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 37128973) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID37128973
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN4O4/c1-24(11-17(25)21-15-5-3-4-13(20)10-15)12-18(26)23-19(27)22-14-6-8-16(28-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H2,22,23,26,27)
InChIKeyRBCOOGUUKVZYGN-UHFFFAOYSA-N
XLogP2.57
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151312
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 38624172
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2658282
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9196918
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222752
2-(3-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 1486366
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8594560
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide (CID 37128973) is N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide is COc1ccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is RBCOOGUUKVZYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-24(11-17(25)21-15-5-3-4-13(20)10-15)12-18(26)23-19(27)22-14-6-8-16(28-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,25)(H2,22,23,26,27).
What are the key properties of N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide?
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 404.85 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 37128973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).