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

C18H24FN3O2 — CID 119704115

IUPAC3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2C3CCC(C3)C2N)cc1F
InChIInChI=1S/C18H24FN3O2/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)
InChIKeyZSVOOLQOJVJWAF-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.35
Rot. Bonds5

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

3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119704115) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119704115
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2C3CCC(C3)C2N)cc1F
InChIInChI=1S/C18H24FN3O2/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)
InChIKeyZSVOOLQOJVJWAF-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119704114
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
CID 119765632
3-amino-N-[2-[(3-bromobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119765631
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-[(2,4-dimethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119715901
3-amino-N-[2-(3-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745498
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119764222
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896

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?
The IUPAC name of 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119704115) is 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(C(=O)NCCNC(=O)C2C3CCC(C3)C2N)cc1F.
What is the InChIKey of 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZSVOOLQOJVJWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/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).
What are the key properties of 3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.35, 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 is sourced from PubChem (CID 119704115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).