2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride

C17H25Cl2N3O3 — CID 120948248

IUPAC2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC2CNCC2O)c1.Cl
InChIInChI=1S/C17H24ClN3O3.ClH/c1-10(2)5-16(23)21-12-3-4-14(18)13(6-12)17(24)20-8-11-7-19-9-15(11)22;/h3-4,6,10-11,15,19,22H,5,7-9H2,1-2H3,(H,20,24)(H,21,23);1H
InChIKeyNHELWGYUMYVRMK-UHFFFAOYSA-N
MW390.31 g/mol
LogP2.06
Rot. Bonds6

About 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride

2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride (PubChem CID 120948248) has the molecular formula C17H25Cl2N3O3 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride
PubChem CID120948248
Molecular FormulaC17H25Cl2N3O3
Molecular Weight390.31 g/mol
Exact Mass389.13
IUPAC Name2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC2CNCC2O)c1.Cl
InChIInChI=1S/C17H24ClN3O3.ClH/c1-10(2)5-16(23)21-12-3-4-14(18)13(6-12)17(24)20-8-11-7-19-9-15(11)22;/h3-4,6,10-11,15,19,22H,5,7-9H2,1-2H3,(H,20,24)(H,21,23);1H
InChIKeyNHELWGYUMYVRMK-UHFFFAOYSA-N
XLogP2.06
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
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
2,4-dichloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylsulfanylbenzamide;hydrochloride
CID 120948818
2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
CID 119430523
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-iodobenzamide;hydrochloride
CID 120944879
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
CID 110000959
5-[[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226607
N-[4-chloro-3-(1,4-diazepane-1-carbonyl)phenyl]-3-methylbutanamide;hydrochloride
CID 119415161
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride (CID 120948248) is 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride is CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC2CNCC2O)c1.Cl.
What is the InChIKey of 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride?
The InChIKey is NHELWGYUMYVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3.ClH/c1-10(2)5-16(23)21-12-3-4-14(18)13(6-12)17(24)20-8-11-7-19-9-15(11)22;/h3-4,6,10-11,15,19,22H,5,7-9H2,1-2H3,(H,20,24)(H,21,23);1H.
What are the key properties of 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride?
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride has a molecular weight of 390.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120948248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).