2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide

C17H17ClN2O3 — CID 7354272

IUPAC2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O3/c1-23-13-6-4-5-12(11-13)16(21)19-9-10-20-17(22)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyLAJHVKNKWXHNMH-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.51
Rot. Bonds6

About 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide

2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide (PubChem CID 7354272) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
PubChem CID7354272
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O3/c1-23-13-6-4-5-12(11-13)16(21)19-9-10-20-17(22)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyLAJHVKNKWXHNMH-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
2-chloroethyl N-[2-[(3-methoxybenzoyl)amino]ethyl]carbamate
CID 108571269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide (CID 7354272) is 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide is COc1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide?
The InChIKey is LAJHVKNKWXHNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-13-6-4-5-12(11-13)16(21)19-9-10-20-17(22)14-7-2-3-8-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 7354272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).