N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide

C14H18ClNO2 — CID 123660248

IUPACN-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide
SMILESCC=C(C)Cc1cc(OC)c(Cl)c(N(C)C=O)c1
InChIInChI=1S/C14H18ClNO2/c1-5-10(2)6-11-7-12(16(3)9-17)14(15)13(8-11)18-4/h5,7-9H,6H2,1-4H3
InChIKeyGCDLKDQPJIFHLA-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.45
Rot. Bonds5

About N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide

N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide (PubChem CID 123660248) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide
PubChem CID123660248
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide
SMILESCC=C(C)Cc1cc(OC)c(Cl)c(N(C)C=O)c1
InChIInChI=1S/C14H18ClNO2/c1-5-10(2)6-11-7-12(16(3)9-17)14(15)13(8-11)18-4/h5,7-9H,6H2,1-4H3
InChIKeyGCDLKDQPJIFHLA-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol
CID 144693484
N-[2-chloro-3-methoxy-5-[(2E)-2-methylpenta-2,4-dienyl]phenyl]-3-hydroxy-N-methyl-3-[(2R)-2-methyloxiran-2-yl]propanamide
CID 155442405
(4S)-N-[2-chloro-3-methoxy-5-[(2E,4E)-2-methylhepta-2,4-dienyl]phenyl]-4-methoxy-N-methylpentanamide
CID 135303688
(3E,5E)-7-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-6-methylhepta-3,5-dien-2-ol;4-methylhex-1-ene
CID 144693483
2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol
CID 84785748
2-chloro-3-methoxy-5-[(2E,4E)-6-methoxy-2-methylhexa-2,4-dienyl]-N-methylaniline
CID 163563816
N-(2-methoxyphenyl)-N-methylformamide
CID 12838509
4-[(2E,4E)-6-[4-chloro-3-(dimethylamino)-5-methoxyphenyl]-1-methoxy-5-methylhexa-2,4-dienyl]-6-ethyl-4-hydroxy-1,3-oxazinan-2-one
CID 126703959
2-chloro-5-[(2E,4E)-2,7-dimethylnona-2,4-dienyl]-N-[4-[(2S,3S)-2,3-dimethyloxiran-2-yl]but-1-en-2-yl]-3-methoxy-N-methylaniline
CID 144935208
(3S)-N-[2-chloro-5-[(2E,4E)-2,7-dimethylnona-2,4-dienyl]-3-methoxyphenyl]-3-(2,3-dimethyloxiran-2-yl)-3-hydroxy-N-methylpropanamide;ethane;N-methylethanamine
CID 145224378
N-[2-methoxy-5-(4-methylphenyl)phenyl]-N-methylformamide
CID 146311230
(E)-5-(3,4-dimethoxyphenyl)-4-methylpent-3-en-2-one
CID 103970851

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide?
The IUPAC name of N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide (CID 123660248) is N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide.
What is the SMILES notation for N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide?
The canonical SMILES for N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide is CC=C(C)Cc1cc(OC)c(Cl)c(N(C)C=O)c1.
What is the InChIKey of N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide?
The InChIKey is GCDLKDQPJIFHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-5-10(2)6-11-7-12(16(3)9-17)14(15)13(8-11)18-4/h5,7-9H,6H2,1-4H3.
What are the key properties of N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide?
N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide has a molecular weight of 267.76 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-methoxy-5-(2-methylbut-2-enyl)phenyl]-N-methylformamide is sourced from PubChem (CID 123660248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).