4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide

C16H23ClN2O3 — CID 30877404

IUPAC4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
SMILESCC(C)OCCCNC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-12(2)22-11-3-9-18-15(20)8-10-19-16(21)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLNCBTWDGKBZFFX-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.39
Rot. Bonds9

About 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide

4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide (PubChem CID 30877404) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
PubChem CID30877404
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
SMILESCC(C)OCCCNC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-12(2)22-11-3-9-18-15(20)8-10-19-16(21)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLNCBTWDGKBZFFX-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.39
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

4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
4-chloro-N-[(2R)-3-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)butan-2-yl]benzamide
CID 2510831
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
CID 30481575
4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide (CID 30877404) is 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide is CC(C)OCCCNC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide?
The InChIKey is LNCBTWDGKBZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-12(2)22-11-3-9-18-15(20)8-10-19-16(21)13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide?
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide has a molecular weight of 326.82 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide is sourced from PubChem (CID 30877404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).