N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide

C21H22Cl2N2O2 — CID 7277036

IUPACN-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide
SMILESO=CNC1(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1
InChIInChI=1S/C21H22Cl2N2O2/c22-16-10-8-15(9-11-16)19(17-6-2-3-7-18(17)23)25-20(27)21(24-14-26)12-4-1-5-13-21/h2-3,6-11,14,19H,1,4-5,12-13H2,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyYOUTUFCBIKSMKI-LJQANCHMSA-N
MW405.33 g/mol
LogP4.65
Rot. Bonds6

About N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide

N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide (PubChem CID 7277036) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide
PubChem CID7277036
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC NameN-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide
SMILESO=CNC1(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1
InChIInChI=1S/C21H22Cl2N2O2/c22-16-10-8-15(9-11-16)19(17-6-2-3-7-18(17)23)25-20(27)21(24-14-26)12-4-1-5-13-21/h2-3,6-11,14,19H,1,4-5,12-13H2,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyYOUTUFCBIKSMKI-LJQANCHMSA-N
XLogP4.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(N-(2-acetamidoacetyl)-4-methoxyanilino)-N-[(2-chlorophenyl)-(4-chlorophenyl)methyl]cyclohexane-1-carboxamide
CID 5140337
1-formamido-N-phenylcyclopentane-1-carboxamide
CID 15065028
[(S)-(2-chlorophenyl)-phenylmethyl]urea
CID 871468
1-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115448423
1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 119070824
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330
1-amino-N-benzhydrylcyclopentane-1-carboxamide
CID 97030389
(2-chlorophenyl)-(1-phenylcyclohexyl)methanol
CID 63414657
1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 4252683
1-anilino-N-[3,4-bis(4-chlorophenyl)butan-2-yl]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 69206431
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide?
The IUPAC name of N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide (CID 7277036) is N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide?
The canonical SMILES for N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide is O=CNC1(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1.
What is the InChIKey of N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide?
The InChIKey is YOUTUFCBIKSMKI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c22-16-10-8-15(9-11-16)19(17-6-2-3-7-18(17)23)25-20(27)21(24-14-26)12-4-1-5-13-21/h2-3,6-11,14,19H,1,4-5,12-13H2,(H,24,26)(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide?
N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-chlorophenyl)-(4-chlorophenyl)methyl]-1-formamidocyclohexane-1-carboxamide is sourced from PubChem (CID 7277036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).