N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide

C19H21ClN4O4 — CID 56557423

IUPACN-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1
InChIInChI=1S/C19H21ClN4O4/c1-12(25)23-14-5-8-17(16(20)11-14)24-19(27)22-10-9-21-18(26)13-3-6-15(28-2)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27)
InChIKeyNFSYGMCOOUBLSN-UHFFFAOYSA-N
MW404.85 g/mol
LogP2.86
Rot. Bonds7

About N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide

N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide (PubChem CID 56557423) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
PubChem CID56557423
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1
InChIInChI=1S/C19H21ClN4O4/c1-12(25)23-14-5-8-17(16(20)11-14)24-19(27)22-10-9-21-18(26)13-3-6-15(28-2)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27)
InChIKeyNFSYGMCOOUBLSN-UHFFFAOYSA-N
XLogP2.86
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide
CID 55836968
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 55816767
4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 78892736
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
4-methoxy-N-[2-[(2,3,4-trifluorophenyl)carbamoylamino]ethyl]benzamide
CID 51118537
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121063367
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
4-acetamido-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]benzamide
CID 42139578

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide (CID 56557423) is N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1.
What is the InChIKey of N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
The InChIKey is NFSYGMCOOUBLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-12(25)23-14-5-8-17(16(20)11-14)24-19(27)22-10-9-21-18(26)13-3-6-15(28-2)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27).
What are the key properties of N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide?
N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide has a molecular weight of 404.85 g/mol, XLogP of 2.86, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamido-2-chlorophenyl)carbamoylamino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 56557423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).