4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide

C14H18Cl2N2O2 — CID 82787459

IUPAC4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NCCCOCC2CC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-6-10(7-12(16)13(11)17)14(19)18-4-1-5-20-8-9-2-3-9/h6-7,9H,1-5,8,17H2,(H,18,19)
InChIKeyKDOADNDWLBOGOV-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.12
Rot. Bonds7

About 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide

4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide (PubChem CID 82787459) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
PubChem CID82787459
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NCCCOCC2CC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-6-10(7-12(16)13(11)17)14(19)18-4-1-5-20-8-9-2-3-9/h6-7,9H,1-5,8,17H2,(H,18,19)
InChIKeyKDOADNDWLBOGOV-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide (CID 82787459) is 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide is Nc1c(Cl)cc(C(=O)NCCCOCC2CC2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide?
The InChIKey is KDOADNDWLBOGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-6-10(7-12(16)13(11)17)14(19)18-4-1-5-20-8-9-2-3-9/h6-7,9H,1-5,8,17H2,(H,18,19).
What are the key properties of 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide?
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide has a molecular weight of 317.22 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide is sourced from PubChem (CID 82787459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).