7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide

C17H23ClN6O — CID 119795252

IUPAC7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C17H23ClN6O/c18-14-9-8-13(20-16(25)5-3-1-2-4-10-19)11-15(14)24-17(12-6-7-12)21-22-23-24/h8-9,11-12H,1-7,10,19H2,(H,20,25)
InChIKeyCVLAGGOOCHZQQB-UHFFFAOYSA-N
MW362.87 g/mol
LogP3.04
Rot. Bonds9

About 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide

7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide (PubChem CID 119795252) has the molecular formula C17H23ClN6O and a molecular weight of 362.87 g/mol. Its IUPAC name is 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide
PubChem CID119795252
Molecular FormulaC17H23ClN6O
Molecular Weight362.87 g/mol
Exact Mass362.16
IUPAC Name7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C17H23ClN6O/c18-14-9-8-13(20-16(25)5-3-1-2-4-10-19)11-15(14)24-17(12-6-7-12)21-22-23-24/h8-9,11-12H,1-7,10,19H2,(H,20,25)
InChIKeyCVLAGGOOCHZQQB-UHFFFAOYSA-N
XLogP3.04
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 126795852
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
CID 119330131
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide
CID 119795296
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 119330139
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119795291
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
CID 167910778
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
5-(6-aminohexanoylamino)-2-chlorobenzoic acid
CID 43714090
4-[[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]carbamoylamino]butanoic acid
CID 122085713
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
3-(2-aminophenyl)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]propanamide;hydrochloride
CID 120611594
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide (CID 119795252) is 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide is NCCCCCCC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1.
What is the InChIKey of 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide?
The InChIKey is CVLAGGOOCHZQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O/c18-14-9-8-13(20-16(25)5-3-1-2-4-10-19)11-15(14)24-17(12-6-7-12)21-22-23-24/h8-9,11-12H,1-7,10,19H2,(H,20,25).
What are the key properties of 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide?
7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide has a molecular weight of 362.87 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide is sourced from PubChem (CID 119795252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).