N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide

C15H14Cl2N2O — CID 43321115

IUPACN-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
SMILESCC(N)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-9(18)10-2-5-12(6-3-10)19-15(20)13-7-4-11(16)8-14(13)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyQLAMQCFMNCVEES-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.27
Rot. Bonds3

About N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide

N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide (PubChem CID 43321115) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
PubChem CID43321115
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
SMILESCC(N)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-9(18)10-2-5-12(6-3-10)19-15(20)13-7-4-11(16)8-14(13)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyQLAMQCFMNCVEES-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320601
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
CID 17160527
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62238383
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694
N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63047898
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide (CID 43321115) is N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide is CC(N)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide?
The InChIKey is QLAMQCFMNCVEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9(18)10-2-5-12(6-3-10)19-15(20)13-7-4-11(16)8-14(13)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide?
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide has a molecular weight of 309.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 43321115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).