N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide

C22H24Cl2N2O2 — CID 67251838

IUPACN-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide
SMILESO=C(c1ccccc1)N(CCl)C1CCC(N(CCl)C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24Cl2N2O2/c23-15-25(21(27)17-7-3-1-4-8-17)19-11-13-20(14-12-19)26(16-24)22(28)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyNFARQFDVBWJFFM-UHFFFAOYSA-N
MW419.35 g/mol
LogP4.97
Rot. Bonds6

About N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide

N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide (PubChem CID 67251838) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide
PubChem CID67251838
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC NameN-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide
SMILESO=C(c1ccccc1)N(CCl)C1CCC(N(CCl)C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24Cl2N2O2/c23-15-25(21(27)17-7-3-1-4-8-17)19-11-13-20(14-12-19)26(16-24)22(28)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKeyNFARQFDVBWJFFM-UHFFFAOYSA-N
XLogP4.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-cyclopropyl-N-pent-3-ynylbenzamide
CID 76764593
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-(1-hydroxypiperidin-4-yl)-N-prop-2-enylbenzamide
CID 143833867
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide?
The IUPAC name of N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide (CID 67251838) is N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide.
What is the SMILES notation for N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide?
The canonical SMILES for N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide is O=C(c1ccccc1)N(CCl)C1CCC(N(CCl)C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide?
The InChIKey is NFARQFDVBWJFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c23-15-25(21(27)17-7-3-1-4-8-17)19-11-13-20(14-12-19)26(16-24)22(28)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2.
What are the key properties of N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide?
N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide has a molecular weight of 419.35 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide is sourced from PubChem (CID 67251838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).