2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide

C14H19BrN2O — CID 79714030

IUPAC2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H19BrN2O/c1-2-7-17(9-10-3-4-10)14(18)12-6-5-11(15)8-13(12)16/h5-6,8,10H,2-4,7,9,16H2,1H3
InChIKeyBHZSRTQDPKNGIV-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide

2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide (PubChem CID 79714030) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
PubChem CID79714030
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H19BrN2O/c1-2-7-17(9-10-3-4-10)14(18)12-6-5-11(15)8-13(12)16/h5-6,8,10H,2-4,7,9,16H2,1H3
InChIKeyBHZSRTQDPKNGIV-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-[(2-amino-4-bromobenzoyl)-propylamino]acetic acid
CID 79721744
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
5-bromo-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79712980
N-(cyclopropylmethyl)-2-hydrazinyl-5-methyl-N-propylbenzamide
CID 62511311
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide (CID 79714030) is 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide?
The InChIKey is BHZSRTQDPKNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-7-17(9-10-3-4-10)14(18)12-6-5-11(15)8-13(12)16/h5-6,8,10H,2-4,7,9,16H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide?
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide has a molecular weight of 311.22 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide is sourced from PubChem (CID 79714030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).