4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide

C19H19ClN2O4 — CID 7994984

IUPAC4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19ClN2O4/c20-14-5-3-13(4-6-14)19(24)21-9-1-2-18(23)22-15-7-8-16-17(12-15)26-11-10-25-16/h3-8,12H,1-2,9-11H2,(H,21,24)(H,22,23)
InChIKeyHPFYCDHCZFGZHT-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.26
Rot. Bonds6

About 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide

4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide (PubChem CID 7994984) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide
PubChem CID7994984
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19ClN2O4/c20-14-5-3-13(4-6-14)19(24)21-9-1-2-18(23)22-15-7-8-16-17(12-15)26-11-10-25-16/h3-8,12H,1-2,9-11H2,(H,21,24)(H,22,23)
InChIKeyHPFYCDHCZFGZHT-UHFFFAOYSA-N
XLogP3.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110370702
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 51339826
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 110370533
4-chloro-N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]benzamide
CID 37040476
4-chloro-N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030933
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
4-chloro-N-[4-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 25482268
N'-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108956712
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanamide
CID 79200438
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 42568895

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide (CID 7994984) is 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide?
The InChIKey is HPFYCDHCZFGZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-14-5-3-13(4-6-14)19(24)21-9-1-2-18(23)22-15-7-8-16-17(12-15)26-11-10-25-16/h3-8,12H,1-2,9-11H2,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide has a molecular weight of 374.82 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 7994984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).