(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C16H19BrN2O — CID 6921900

IUPAC(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(=NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O/c1-10(11-6-8-12(17)9-7-11)18-19-16(20)15-13-4-2-3-5-14(13)15/h6-9,13-15H,2-5H2,1H3,(H,19,20)/t13-,14-/m0/s1
InChIKeyKRDBWWMPMKJBMX-KBPBESRZSA-N
MW335.25 g/mol
LogP3.73
Rot. Bonds3

About (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 6921900) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID6921900
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(=NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O/c1-10(11-6-8-12(17)9-7-11)18-19-16(20)15-13-4-2-3-5-14(13)15/h6-9,13-15H,2-5H2,1H3,(H,19,20)/t13-,14-/m0/s1
InChIKeyKRDBWWMPMKJBMX-KBPBESRZSA-N
XLogP3.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 56695642
(1R,6S)-N-[(Z)-1-naphthalen-2-ylethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5409657
(1S,6R,7S)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98084880
N-[1-(4-bromophenyl)ethylideneamino]spiro[2.3]hexane-2-carboxamide
CID 3096093
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-methylpyridine-3-carboxamide
CID 5370928
N-(1-cyclopropylethylideneamino)bicyclo[4.1.0]heptane-7-carboxamide
CID 4219889
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
(3S)-N-[1-(4-bromophenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1376548
(3R)-N-[1-(4-bromophenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1376547

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 6921900) is (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is CC(=NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(Br)cc1.
What is the InChIKey of (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is KRDBWWMPMKJBMX-KBPBESRZSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10(11-6-8-12(17)9-7-11)18-19-16(20)15-13-4-2-3-5-14(13)15/h6-9,13-15H,2-5H2,1H3,(H,19,20)/t13-,14-/m0/s1.
What are the key properties of (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 335.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[1-(4-bromophenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 6921900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).