4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide

C17H18ClN3O3 — CID 2344102

IUPAC4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)NCCCl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-24-15-5-3-2-4-14(15)21-16(22)12-6-8-13(9-7-12)20-17(23)19-11-10-18/h2-9H,10-11H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyXBGKMZTYALOFFL-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.31
Rot. Bonds6

About 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide

4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide (PubChem CID 2344102) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide
PubChem CID2344102
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)NCCCl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-24-15-5-3-2-4-14(15)21-16(22)12-6-8-13(9-7-12)20-17(23)19-11-10-18/h2-9H,10-11H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyXBGKMZTYALOFFL-UHFFFAOYSA-N
XLogP3.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-[(6-chloro-3-pyridinyl)methylcarbamoylamino]-N-(2-methoxyphenyl)benzamide
CID 78893033
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide (CID 2344102) is 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)NCCCl)cc1.
What is the InChIKey of 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide?
The InChIKey is XBGKMZTYALOFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-24-15-5-3-2-4-14(15)21-16(22)12-6-8-13(9-7-12)20-17(23)19-11-10-18/h2-9H,10-11H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide?
4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide has a molecular weight of 347.80 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 2344102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).