2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide

C18H19ClN4O3 — CID 86862600

IUPAC2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN4O3/c1-12(24)23(2)16-9-7-15(8-10-16)22-18(26)20-11-17(25)21-14-5-3-13(19)4-6-14/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,22,26)
InChIKeyFJVQJBOGFIGYFO-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.08
Rot. Bonds5

About 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide

2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide (PubChem CID 86862600) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
PubChem CID86862600
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN4O3/c1-12(24)23(2)16-9-7-15(8-10-16)22-18(26)20-11-17(25)21-14-5-3-13(19)4-6-14/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,22,26)
InChIKeyFJVQJBOGFIGYFO-UHFFFAOYSA-N
XLogP3.08
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4936886
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide
CID 60577820
4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577488
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide (CID 86862600) is 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide is CC(=O)N(C)c1ccc(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide?
The InChIKey is FJVQJBOGFIGYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-12(24)23(2)16-9-7-15(8-10-16)22-18(26)20-11-17(25)21-14-5-3-13(19)4-6-14/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,22,26).
What are the key properties of 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide?
2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide has a molecular weight of 374.83 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 86862600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).