N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide

C19H21ClN4O3 — CID 121063265

IUPACN-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN4O3/c1-2-17(25)23-15-7-3-13(4-8-15)18(26)21-11-12-22-19(27)24-16-9-5-14(20)6-10-16/h3-10H,2,11-12H2,1H3,(H,21,26)(H,23,25)(H2,22,24,27)
InChIKeySLHNPCQMSONKMD-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.24
Rot. Bonds7

About N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide

N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide (PubChem CID 121063265) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
PubChem CID121063265
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN4O3/c1-2-17(25)23-15-7-3-13(4-8-15)18(26)21-11-12-22-19(27)24-16-9-5-14(20)6-10-16/h3-10H,2,11-12H2,1H3,(H,21,26)(H,23,25)(H2,22,24,27)
InChIKeySLHNPCQMSONKMD-UHFFFAOYSA-N
XLogP3.24
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063298
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063287
4-[(2,5-dichlorophenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062389
methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
1-(propanoylamino)-4-[2-(sulfinatoamino)ethylcarbamoyl]benzene
CID 118426421
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733
N-(5-chloro-2-pyridinyl)-4-(propanoylamino)benzamide
CID 2988082
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide (CID 121063265) is N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The InChIKey is SLHNPCQMSONKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-2-17(25)23-15-7-3-13(4-8-15)18(26)21-11-12-22-19(27)24-16-9-5-14(20)6-10-16/h3-10H,2,11-12H2,1H3,(H,21,26)(H,23,25)(H2,22,24,27).
What are the key properties of N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide has a molecular weight of 388.86 g/mol, XLogP of 3.24, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 121063265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).