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

C14H21Cl2N3O2 — CID 119309782

IUPAC3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCN)c1.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-9(2)18(3)14(20)10-4-5-11(15)12(8-10)17-13(19)6-7-16;/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,19);1H
InChIKeyYKLYFQRFMOFGIM-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.53
Rot. Bonds5

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

3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119309782) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119309782
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC Name3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCN)c1.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-9(2)18(3)14(20)10-4-5-11(15)12(8-10)17-13(19)6-7-16;/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,19);1H
InChIKeyYKLYFQRFMOFGIM-UHFFFAOYSA-N
XLogP2.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide
CID 119759883
4-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoylamino]butanoic acid
CID 122079613
4-chloro-N-methyl-N-propan-2-yl-3-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 52845031
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
3-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683767
4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998308
3-[(3-aminocyclohexanecarbonyl)amino]-4-chloro-N-methyl-N-propan-2-ylbenzamide
CID 119759863
3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide
CID 82012587
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride (CID 119309782) is 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride is CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCN)c1.Cl.
What is the InChIKey of 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is YKLYFQRFMOFGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2.ClH/c1-9(2)18(3)14(20)10-4-5-11(15)12(8-10)17-13(19)6-7-16;/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,19);1H.
What are the key properties of 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride?
3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 334.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119309782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).