7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride

C15H22Cl3FN2O — CID 119686390

IUPAC7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride
SMILESCC(NC(=O)CCCCCCN)c1cc(F)c(Cl)cc1Cl.Cl
InChIInChI=1S/C15H21Cl2FN2O.ClH/c1-10(11-8-14(18)13(17)9-12(11)16)20-15(21)6-4-2-3-5-7-19;/h8-10H,2-7,19H2,1H3,(H,20,21);1H
InChIKeyXXTVRVMDGHZLIF-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.64
Rot. Bonds8

About 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride

7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride (PubChem CID 119686390) has the molecular formula C15H22Cl3FN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride
PubChem CID119686390
Molecular FormulaC15H22Cl3FN2O
Molecular Weight371.71 g/mol
Exact Mass370.08
IUPAC Name7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride
SMILESCC(NC(=O)CCCCCCN)c1cc(F)c(Cl)cc1Cl.Cl
InChIInChI=1S/C15H21Cl2FN2O.ClH/c1-10(11-8-14(18)13(17)9-12(11)16)20-15(21)6-4-2-3-5-7-19;/h8-10H,2-7,19H2,1H3,(H,20,21);1H
InChIKeyXXTVRVMDGHZLIF-UHFFFAOYSA-N
XLogP4.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686394
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
tert-butyl N-[4-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-4-oxobutyl]carbamate
CID 9187263
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 112764256
5-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]pentanamide
CID 103529766
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
CID 112799664
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]pentanamide
CID 55936103
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
4-(4-acetyl-2-methoxyphenoxy)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]butanamide
CID 55738513

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride (CID 119686390) is 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride is CC(NC(=O)CCCCCCN)c1cc(F)c(Cl)cc1Cl.Cl.
What is the InChIKey of 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride?
The InChIKey is XXTVRVMDGHZLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2FN2O.ClH/c1-10(11-8-14(18)13(17)9-12(11)16)20-15(21)6-4-2-3-5-7-19;/h8-10H,2-7,19H2,1H3,(H,20,21);1H.
What are the key properties of 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride?
7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride has a molecular weight of 371.71 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride is sourced from PubChem (CID 119686390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).