N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide

C32H30ClNO — CID 10552718

IUPACN-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide
SMILESO=C(C(Cl)Cc1ccccc1)N(Cc1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C32H30ClNO/c33-30(21-26-7-3-1-4-8-26)32(35)34(23-28-9-5-2-6-10-28)31-22-27-16-15-24-11-13-25(14-12-24)17-19-29(31)20-18-27/h1-14,18,20,22,30H,15-17,19,21,23H2
InChIKeyDHLDVRNCCJGWMO-UHFFFAOYSA-N
MW480.05 g/mol
LogP6.95
Rot. Bonds6

About N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide

N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide (PubChem CID 10552718) has the molecular formula C32H30ClNO and a molecular weight of 480.05 g/mol. Its IUPAC name is N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide
PubChem CID10552718
Molecular FormulaC32H30ClNO
Molecular Weight480.05 g/mol
Exact Mass479.20
IUPAC NameN-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide
SMILESO=C(C(Cl)Cc1ccccc1)N(Cc1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C32H30ClNO/c33-30(21-26-7-3-1-4-8-26)32(35)34(23-28-9-5-2-6-10-28)31-22-27-16-15-24-11-13-25(14-12-24)17-19-29(31)20-18-27/h1-14,18,20,22,30H,15-17,19,21,23H2
InChIKeyDHLDVRNCCJGWMO-UHFFFAOYSA-N
XLogP6.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.05
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-bromo-2-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)acetamide
CID 10505862
N,2-dimethyl-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide
CID 10572045
(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
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(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
CID 87933101
3-chloro-2-methylidene-4-phenylbutanoic acid
CID 23372429
(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
3-chloro-2-oxo-4-phenylbutanoic acid
CID 165024954
N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272
N-benzyl-N-(3,4-dihydronaphthalen-2-yl)acetamide
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CID 82184980
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2-(cyclobuten-1-yl)-3-phenylpropanoic acid
CID 57255521

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide?
The IUPAC name of N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide (CID 10552718) is N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide.
What is the SMILES notation for N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide?
The canonical SMILES for N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide is O=C(C(Cl)Cc1ccccc1)N(Cc1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide?
The InChIKey is DHLDVRNCCJGWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClNO/c33-30(21-26-7-3-1-4-8-26)32(35)34(23-28-9-5-2-6-10-28)31-22-27-16-15-24-11-13-25(14-12-24)17-19-29(31)20-18-27/h1-14,18,20,22,30H,15-17,19,21,23H2.
What are the key properties of N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide?
N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide has a molecular weight of 480.05 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-3-phenyl-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propanamide is sourced from PubChem (CID 10552718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).