N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride

C13H19Cl2N3O2 — CID 119738705

IUPACN-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
SMILESCNCC(=O)NCCCC(=O)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-15-9-13(19)16-8-2-3-12(18)17-11-6-4-10(14)5-7-11;/h4-7,15H,2-3,8-9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyQOYFTMRFNIFHIV-UHFFFAOYSA-N
MW320.22 g/mol
LogP1.82
Rot. Bonds7

About N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride

N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride (PubChem CID 119738705) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
PubChem CID119738705
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC NameN-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
SMILESCNCC(=O)NCCCC(=O)Nc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-15-9-13(19)16-8-2-3-12(18)17-11-6-4-10(14)5-7-11;/h4-7,15H,2-3,8-9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyQOYFTMRFNIFHIV-UHFFFAOYSA-N
XLogP1.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.82
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-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N-(4-chlorophenyl)-4-[[(2S)-2-methylsulfonylpropanoyl]amino]butanamide
CID 94825681
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
N-[4-(4-chloroanilino)-4-oxobutyl]-4-(4-nitroanilino)butanamide
CID 55990574
N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide
CID 110981118
N-(4-chlorophenyl)-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide;hydroiodide
CID 111124604
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
CID 55946746
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride (CID 119738705) is N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride is CNCC(=O)NCCCC(=O)Nc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride?
The InChIKey is QOYFTMRFNIFHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2.ClH/c1-15-9-13(19)16-8-2-3-12(18)17-11-6-4-10(14)5-7-11;/h4-7,15H,2-3,8-9H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride?
N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride has a molecular weight of 320.22 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride is sourced from PubChem (CID 119738705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).