2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride

C13H19Cl2N3O2 — CID 119283724

IUPAC2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCN.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-8(2)16-13(19)10-4-3-9(14)7-11(10)17-12(18)5-6-15;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyFTNBKOPGKBTUMO-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.19
Rot. Bonds5

About 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride

2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119283724) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119283724
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCN.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-8(2)16-13(19)10-4-3-9(14)7-11(10)17-12(18)5-6-15;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyFTNBKOPGKBTUMO-UHFFFAOYSA-N
XLogP2.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 120608743
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 55807308
4-chloro-2-[(2-naphthalen-1-yloxyacetyl)amino]-N-propan-2-ylbenzamide
CID 112837542
4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807409
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
2-[3-(1-adamantylcarbamoylamino)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55807245
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-chloro-2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807538

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride (CID 119283724) is 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCN.Cl.
What is the InChIKey of 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is FTNBKOPGKBTUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2.ClH/c1-8(2)16-13(19)10-4-3-9(14)7-11(10)17-12(18)5-6-15;/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride?
2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 320.22 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119283724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).