N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide

C26H35ClN2O2 — CID 67499677

IUPACN'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide
SMILESCCC[C@H](N(NC(=O)c1ccccc1Cl)C(=O)c1cc(CC)cc(CC)c1)C(C)(C)C
InChIInChI=1S/C26H35ClN2O2/c1-7-12-23(26(4,5)6)29(28-24(30)21-13-10-11-14-22(21)27)25(31)20-16-18(8-2)15-19(9-3)17-20/h10-11,13-17,23H,7-9,12H2,1-6H3,(H,28,30)/t23-/m0/s1
InChIKeyADQNVCHNIPGXGY-QHCPKHFHSA-N
MW443.03 g/mol
LogP6.47
Rot. Bonds7

About N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide

N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide (PubChem CID 67499677) has the molecular formula C26H35ClN2O2 and a molecular weight of 443.03 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide
PubChem CID67499677
Molecular FormulaC26H35ClN2O2
Molecular Weight443.03 g/mol
Exact Mass442.24
IUPAC NameN'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide
SMILESCCC[C@H](N(NC(=O)c1ccccc1Cl)C(=O)c1cc(CC)cc(CC)c1)C(C)(C)C
InChIInChI=1S/C26H35ClN2O2/c1-7-12-23(26(4,5)6)29(28-24(30)21-13-10-11-14-22(21)27)25(31)20-16-18(8-2)15-19(9-3)17-20/h10-11,13-17,23H,7-9,12H2,1-6H3,(H,28,30)/t23-/m0/s1
InChIKeyADQNVCHNIPGXGY-QHCPKHFHSA-N
XLogP6.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.03
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide
CID 67498293
2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide
CID 67495537
N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]naphthalene-1-carbohydrazide
CID 25143499
N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-dimethoxy-N'-(3-methoxy-2-methylbenzoyl)-4-methylbenzohydrazide
CID 25141514
[3-[[(3,5-dimethylbenzoyl)-[(3R)-2,2-dimethylhexan-3-yl]amino]carbamoyl]-2-methylphenyl]boronic acid
CID 86282612
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66558029
N'-(3,5-dimethylbenzoyl)-N'-[(3S)-2,2-dimethylhexan-3-yl]-2,6-difluorobenzohydrazide
CID 25143229
2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide
CID 42644920
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
2-chloro-N-(3-methylbutyl)benzamide
CID 669760

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide (CID 67499677) is N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide is CCC[C@H](N(NC(=O)c1ccccc1Cl)C(=O)c1cc(CC)cc(CC)c1)C(C)(C)C.
What is the InChIKey of N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide?
The InChIKey is ADQNVCHNIPGXGY-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H35ClN2O2/c1-7-12-23(26(4,5)6)29(28-24(30)21-13-10-11-14-22(21)27)25(31)20-16-18(8-2)15-19(9-3)17-20/h10-11,13-17,23H,7-9,12H2,1-6H3,(H,28,30)/t23-/m0/s1.
What are the key properties of N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide?
N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide has a molecular weight of 443.03 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide is sourced from PubChem (CID 67499677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).