2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide

C16H24ClN3O2 — CID 119430523

IUPAC2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
SMILESCNCCCNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-11(2)9-15(21)20-12-5-6-14(17)13(10-12)16(22)19-8-4-7-18-3/h5-6,10-11,18H,4,7-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZVOCDJGSBBQEMM-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.66
Rot. Bonds8

About 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide

2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide (PubChem CID 119430523) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
PubChem CID119430523
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
SMILESCNCCCNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-11(2)9-15(21)20-12-5-6-14(17)13(10-12)16(22)19-8-4-7-18-3/h5-6,10-11,18H,4,7-9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZVOCDJGSBBQEMM-UHFFFAOYSA-N
XLogP2.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.66
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

N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119495881
N-(3-amino-2-methylpropyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119997159
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
CID 110000959
4-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]-2-methylbenzoic acid
CID 119240331
N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide
CID 120569045
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
1-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538932
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 120948248
5-[[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226607
5-[4-chloro-3-(methylcarbamoyl)anilino]-3-methyl-5-oxopentanoic acid
CID 62965912
2-[3-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]phenyl]acetic acid
CID 119351920

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide?
The IUPAC name of 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide (CID 119430523) is 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide is CNCCCNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide?
The InChIKey is ZVOCDJGSBBQEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-11(2)9-15(21)20-12-5-6-14(17)13(10-12)16(22)19-8-4-7-18-3/h5-6,10-11,18H,4,7-9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide?
2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide has a molecular weight of 325.84 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 119430523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).