N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide

C24H31ClN2O2 — CID 25143087

IUPACN'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide
SMILESCCC[C@@H](N(NC(=O)c1cccc(Cl)c1)C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChIInChI=1S/C24H31ClN2O2/c1-7-9-21(24(4,5)6)27(23(29)19-13-16(2)12-17(3)14-19)26-22(28)18-10-8-11-20(25)15-18/h8,10-15,21H,7,9H2,1-6H3,(H,26,28)/t21-/m1/s1
InChIKeyJLECHVCCHKQGSK-OAQYLSRUSA-N
MW414.98 g/mol
LogP5.96
Rot. Bonds5

About N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide

N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide (PubChem CID 25143087) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide
PubChem CID25143087
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC NameN'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide
SMILESCCC[C@@H](N(NC(=O)c1cccc(Cl)c1)C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChIInChI=1S/C24H31ClN2O2/c1-7-9-21(24(4,5)6)27(23(29)19-13-16(2)12-17(3)14-19)26-22(28)18-10-8-11-20(25)15-18/h8,10-15,21H,7,9H2,1-6H3,(H,26,28)/t21-/m1/s1
InChIKeyJLECHVCCHKQGSK-OAQYLSRUSA-N
XLogP5.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.98
LogP ≤ 55.96
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

2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide
CID 67495537
N'-(3,5-dimethylbenzoyl)-N'-[(3S)-2,2-dimethylhexan-3-yl]-2,6-difluorobenzohydrazide
CID 25143229
N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]naphthalene-1-carbohydrazide
CID 25143499
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)thiophene-2-carbohydrazide
CID 74395745
[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'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide
CID 67499677
N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-dimethoxy-N'-(3-methoxy-2-methylbenzoyl)-4-methylbenzohydrazide
CID 25141514
3-[4-[[(3,5-dimethylbenzoyl)-[(3R)-2,2-dimethylhexan-3-yl]amino]carbamoyl]-2-hydroxy-3-methylphenyl]propylboronic acid
CID 90442184
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpentan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66764183
N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylpentan-3-yl]-3-[2-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyethyl]-4-(1-methoxybutyl)benzohydrazide
CID 118974774
N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylpentan-3-yl]-1-hydroxy-2,3,1-benzoxazaborinine-7-carbohydrazide
CID 131746783

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide (CID 25143087) is N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide is CCC[C@@H](N(NC(=O)c1cccc(Cl)c1)C(=O)c1cc(C)cc(C)c1)C(C)(C)C.
What is the InChIKey of N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide?
The InChIKey is JLECHVCCHKQGSK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-7-9-21(24(4,5)6)27(23(29)19-13-16(2)12-17(3)14-19)26-22(28)18-10-8-11-20(25)15-18/h8,10-15,21H,7,9H2,1-6H3,(H,26,28)/t21-/m1/s1.
What are the key properties of N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide?
N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide has a molecular weight of 414.98 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-N-[(3R)-2,2-dimethylhexan-3-yl]-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 25143087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).