3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C18H25ClFN3O2 — CID 119704114

IUPAC3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C2C3CCC(C3)C2N)cc1F.Cl
InChIInChI=1S/C18H24FN3O2.ClH/c1-10-2-3-13(9-14(10)19)17(23)21-6-7-22-18(24)15-11-4-5-12(8-11)16(15)20;/h2-3,9,11-12,15-16H,4-8,20H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyRXRGVVDDYIIPLM-UHFFFAOYSA-N
MW369.87 g/mol
LogP1.78
Rot. Bonds5

About 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119704114) has the molecular formula C18H25ClFN3O2 and a molecular weight of 369.87 g/mol. Its IUPAC name is 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119704114
Molecular FormulaC18H25ClFN3O2
Molecular Weight369.87 g/mol
Exact Mass369.16
IUPAC Name3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C2C3CCC(C3)C2N)cc1F.Cl
InChIInChI=1S/C18H24FN3O2.ClH/c1-10-2-3-13(9-14(10)19)17(23)21-6-7-22-18(24)15-11-4-5-12(8-11)16(15)20;/h2-3,9,11-12,15-16H,4-8,20H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyRXRGVVDDYIIPLM-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 51.78
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

3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119704115
3-amino-N-[2-[(4-fluorobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119742025
3-amino-N-[2-[(3-bromobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119765631
3-amino-N-[2-[(3-bromobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119765632
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
3-amino-N-[2-(3-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745498
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119831762
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116
3-amino-N-[(2,4-dimethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119715901

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119704114) is 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1ccc(C(=O)NCCNC(=O)C2C3CCC(C3)C2N)cc1F.Cl.
What is the InChIKey of 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is RXRGVVDDYIIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2.ClH/c1-10-2-3-13(9-14(10)19)17(23)21-6-7-22-18(24)15-11-4-5-12(8-11)16(15)20;/h2-3,9,11-12,15-16H,4-8,20H2,1H3,(H,21,23)(H,22,24);1H.
What are the key properties of 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 369.87 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119704114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).