3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide

C16H16Cl2N2O — CID 61102024

IUPAC3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(N)c(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-9-3-5-11(6-4-9)10(2)20-16(21)12-7-13(17)15(18)14(19)8-12/h3-8,10H,19H2,1-2H3,(H,20,21)
InChIKeyMMZDVMZKYDIDKE-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.38
Rot. Bonds3

About 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide

3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 61102024) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID61102024
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(N)c(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-9-3-5-11(6-4-9)10(2)20-16(21)12-7-13(17)15(18)14(19)8-12/h3-8,10H,19H2,1-2H3,(H,20,21)
InChIKeyMMZDVMZKYDIDKE-UHFFFAOYSA-N
XLogP4.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843419
2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
2-chloro-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 62248978
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 104782504
3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 93486317
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
N-[1-(4-aminophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 43297503
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide (CID 61102024) is 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cc(N)c(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is MMZDVMZKYDIDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-9-3-5-11(6-4-9)10(2)20-16(21)12-7-13(17)15(18)14(19)8-12/h3-8,10H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide?
3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 323.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 61102024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).