N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide

C18H19ClN2O3 — CID 39753632

IUPACN-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-10-9-14(19)12-15(16)21-17(22)8-5-11-20-18(23)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyWPOTVRSCDIDWAU-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.50
Rot. Bonds7

About N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide

N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide (PubChem CID 39753632) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
PubChem CID39753632
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-10-9-14(19)12-15(16)21-17(22)8-5-11-20-18(23)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyWPOTVRSCDIDWAU-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.50
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

N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
N-[4-(5-chloro-2-phenoxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 55375845
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide (CID 39753632) is N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide is COc1ccc(Cl)cc1NC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide?
The InChIKey is WPOTVRSCDIDWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-16-10-9-14(19)12-15(16)21-17(22)8-5-11-20-18(23)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide?
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 39753632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).