N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide

C18H19ClN2O3 — CID 78895454

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)c(O)c1C
InChIInChI=1S/C18H19ClN2O3/c1-11-3-8-15(16(22)12(11)2)18(24)21-10-9-20-17(23)13-4-6-14(19)7-5-13/h3-8,22H,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVXKPTWKBVLXAKZ-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.82
Rot. Bonds5

About N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide (PubChem CID 78895454) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide
PubChem CID78895454
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)c(O)c1C
InChIInChI=1S/C18H19ClN2O3/c1-11-3-8-15(16(22)12(11)2)18(24)21-10-9-20-17(23)13-4-6-14(19)7-5-13/h3-8,22H,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVXKPTWKBVLXAKZ-UHFFFAOYSA-N
XLogP2.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide
CID 47268064
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 3082615
2-[(4-chlorobenzoyl)amino]ethylazanium chloride
CID 43834591
N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55917649
4-chloro-N-[2-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111360315

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide (CID 78895454) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)c(O)c1C.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide?
The InChIKey is VXKPTWKBVLXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-3-8-15(16(22)12(11)2)18(24)21-10-9-20-17(23)13-4-6-14(19)7-5-13/h3-8,22H,9-10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide has a molecular weight of 346.81 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-hydroxy-3,4-dimethylbenzamide is sourced from PubChem (CID 78895454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).