N-[2-chloro-4-(heptylamino)phenyl]acetamide

C15H23ClN2O — CID 43690209

IUPACN-[2-chloro-4-(heptylamino)phenyl]acetamide
SMILESCCCCCCCNc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-3-4-5-6-7-10-17-13-8-9-15(14(16)11-13)18-12(2)19/h8-9,11,17H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyYQTAYCNSLNTYCF-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.68
Rot. Bonds8

About N-[2-chloro-4-(heptylamino)phenyl]acetamide

N-[2-chloro-4-(heptylamino)phenyl]acetamide (PubChem CID 43690209) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[2-chloro-4-(heptylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(heptylamino)phenyl]acetamide
PubChem CID43690209
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[2-chloro-4-(heptylamino)phenyl]acetamide
SMILESCCCCCCCNc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-3-4-5-6-7-10-17-13-8-9-15(14(16)11-13)18-12(2)19/h8-9,11,17H,3-7,10H2,1-2H3,(H,18,19)
InChIKeyYQTAYCNSLNTYCF-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-(hexylamino)phenyl]acetamide
CID 43690140
N-[5-(hexylamino)-2-methylphenyl]acetamide
CID 43735857
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
1-[2-chloro-4-(hexylcarbamothioylamino)phenyl]-3-hexylthiourea
CID 20787837
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
3-chloro-N-hexyl-4-nitroaniline
CID 80505222
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
2,4-dichloro-N-decylaniline
CID 63489638
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[4-chloro-3-(5-hydroxypentylamino)phenyl]acetamide
CID 111770386

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(heptylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(heptylamino)phenyl]acetamide (CID 43690209) is N-[2-chloro-4-(heptylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(heptylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(heptylamino)phenyl]acetamide is CCCCCCCNc1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(heptylamino)phenyl]acetamide?
The InChIKey is YQTAYCNSLNTYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-4-5-6-7-10-17-13-8-9-15(14(16)11-13)18-12(2)19/h8-9,11,17H,3-7,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-chloro-4-(heptylamino)phenyl]acetamide?
N-[2-chloro-4-(heptylamino)phenyl]acetamide has a molecular weight of 282.81 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(heptylamino)phenyl]acetamide is sourced from PubChem (CID 43690209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).