N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride

C16H25Cl2N3O2 — CID 119495881

IUPACN-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C16H24ClN3O2.ClH/c1-10(2)8-15(21)20-12-4-5-14(17)13(9-12)16(22)19-7-6-11(3)18;/h4-5,9-11H,6-8,18H2,1-3H3,(H,19,22)(H,20,21);1H
InChIKeyUXPIVGDOSOXTPT-UHFFFAOYSA-N
MW362.30 g/mol
LogP3.21
Rot. Bonds7

About N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride

N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride (PubChem CID 119495881) has the molecular formula C16H25Cl2N3O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
PubChem CID119495881
Molecular FormulaC16H25Cl2N3O2
Molecular Weight362.30 g/mol
Exact Mass361.13
IUPAC NameN-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C16H24ClN3O2.ClH/c1-10(2)8-15(21)20-12-4-5-14(17)13(9-12)16(22)19-7-6-11(3)18;/h4-5,9-11H,6-8,18H2,1-3H3,(H,19,22)(H,20,21);1H
InChIKeyUXPIVGDOSOXTPT-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
CID 119430523
N-(3-amino-2-methylpropyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119997159
N-(5-amino-2-methylphenyl)-2-chloro-5-(3-methylbutanoylamino)benzamide
CID 120569045
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 120948248
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
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
5-[[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226607
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
2-[3-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]phenyl]acetic acid
CID 119351920
1-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538932
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride (CID 119495881) is N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride is CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCC(C)N)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride?
The InChIKey is UXPIVGDOSOXTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2.ClH/c1-10(2)8-15(21)20-12-4-5-14(17)13(9-12)16(22)19-7-6-11(3)18;/h4-5,9-11H,6-8,18H2,1-3H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride?
N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119495881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).