3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H24BrN3O2 — CID 119764222

IUPAC3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C18H24BrN3O2/c1-10-2-5-13(19)9-14(10)22-15(23)6-7-21-18(24)16-11-3-4-12(8-11)17(16)20/h2,5,9,11-12,16-17H,3-4,6-8,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyIJLDNQUFHHSDFN-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.58
Rot. Bonds5

About 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119764222) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119764222
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C18H24BrN3O2/c1-10-2-5-13(19)9-14(10)22-15(23)6-7-21-18(24)16-11-3-4-12(8-11)17(16)20/h2,5,9,11-12,16-17H,3-4,6-8,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyIJLDNQUFHHSDFN-UHFFFAOYSA-N
XLogP2.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(3-anilino-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119785792
(2S,4S)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629529
N-(5-bromo-2-methylphenyl)-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanamide
CID 111094253
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307
3-amino-N-[2-[(3-bromobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119765632
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
3-amino-N-[2-[(3-bromobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119765631
3-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 115738484
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
N-(5-bromo-2-methylphenyl)-3-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111870527
3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119762950

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119764222) is 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(Br)cc1NC(=O)CCNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IJLDNQUFHHSDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c1-10-2-5-13(19)9-14(10)22-15(23)6-7-21-18(24)16-11-3-4-12(8-11)17(16)20/h2,5,9,11-12,16-17H,3-4,6-8,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119764222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).