N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide

C16H22NOP — CID 143724449

IUPACN-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide
SMILESO=C(c1cccc(P)c1)N(C1CCCCC1)C1CC1
InChIInChI=1S/C16H22NOP/c18-16(12-5-4-8-15(19)11-12)17(14-9-10-14)13-6-2-1-3-7-13/h4-5,8,11,13-14H,1-3,6-7,9-10,19H2
InChIKeyPBWUHGCJGIGJMM-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.12
Rot. Bonds3

About N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide

N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide (PubChem CID 143724449) has the molecular formula C16H22NOP and a molecular weight of 275.33 g/mol. Its IUPAC name is N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide
PubChem CID143724449
Molecular FormulaC16H22NOP
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide
SMILESO=C(c1cccc(P)c1)N(C1CCCCC1)C1CC1
InChIInChI=1S/C16H22NOP/c18-16(12-5-4-8-15(19)11-12)17(14-9-10-14)13-6-2-1-3-7-13/h4-5,8,11,13-14H,1-3,6-7,9-10,19H2
InChIKeyPBWUHGCJGIGJMM-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide?
The IUPAC name of N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide (CID 143724449) is N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide?
The canonical SMILES for N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide is O=C(c1cccc(P)c1)N(C1CCCCC1)C1CC1.
What is the InChIKey of N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide?
The InChIKey is PBWUHGCJGIGJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NOP/c18-16(12-5-4-8-15(19)11-12)17(14-9-10-14)13-6-2-1-3-7-13/h4-5,8,11,13-14H,1-3,6-7,9-10,19H2.
What are the key properties of N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide?
N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide has a molecular weight of 275.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide is sourced from PubChem (CID 143724449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).