N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide

C21H26ClNO — CID 87734438

IUPACN-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide
SMILESCCC(C)(C)CC(C)c1ccccc1N(C=O)c1ccccc1Cl
InChIInChI=1S/C21H26ClNO/c1-5-21(3,4)14-16(2)17-10-6-8-12-19(17)23(15-24)20-13-9-7-11-18(20)22/h6-13,15-16H,5,14H2,1-4H3
InChIKeyMQOPYUWJXMGYMC-UHFFFAOYSA-N
MW343.90 g/mol
LogP6.56
Rot. Bonds7

About N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide

N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide (PubChem CID 87734438) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide
PubChem CID87734438
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC NameN-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide
SMILESCCC(C)(C)CC(C)c1ccccc1N(C=O)c1ccccc1Cl
InChIInChI=1S/C21H26ClNO/c1-5-21(3,4)14-16(2)17-10-6-8-12-19(17)23(15-24)20-13-9-7-11-18(20)22/h6-13,15-16H,5,14H2,1-4H3
InChIKeyMQOPYUWJXMGYMC-UHFFFAOYSA-N
XLogP6.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide?
The IUPAC name of N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide (CID 87734438) is N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide is CCC(C)(C)CC(C)c1ccccc1N(C=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide?
The InChIKey is MQOPYUWJXMGYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-5-21(3,4)14-16(2)17-10-6-8-12-19(17)23(15-24)20-13-9-7-11-18(20)22/h6-13,15-16H,5,14H2,1-4H3.
What are the key properties of N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide?
N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide has a molecular weight of 343.90 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[2-(4,4-dimethylhexan-2-yl)phenyl]formamide is sourced from PubChem (CID 87734438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).