5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide

C14H19BrN2O2 — CID 115297054

IUPAC5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
SMILESNc1ccc(Br)c(C(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C14H19BrN2O2/c15-13-5-4-11(16)8-12(13)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9,16H2,(H,17,18)
InChIKeyKXMQFQQAJPXDIZ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.58
Rot. Bonds7

About 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide

5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide (PubChem CID 115297054) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
PubChem CID115297054
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
SMILESNc1ccc(Br)c(C(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C14H19BrN2O2/c15-13-5-4-11(16)8-12(13)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9,16H2,(H,17,18)
InChIKeyKXMQFQQAJPXDIZ-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.58
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

5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide
CID 103773500
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
CID 154795317
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
2-(4-aminophenyl)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpropanamide
CID 80555501

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide (CID 115297054) is 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide is Nc1ccc(Br)c(C(=O)NCCCOCC2CC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide?
The InChIKey is KXMQFQQAJPXDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-13-5-4-11(16)8-12(13)14(18)17-6-1-7-19-9-10-2-3-10/h4-5,8,10H,1-3,6-7,9,16H2,(H,17,18).
What are the key properties of 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide?
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide is sourced from PubChem (CID 115297054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).