N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

C20H20FN5O2 — CID 46548477

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1F
InChIInChI=1S/C20H20FN5O2/c1-28-18-10-2-13(12-17(18)21)3-11-19(27)22-15-6-4-14(5-7-15)20-23-24-25-26(20)16-8-9-16/h2,4-7,10,12,16H,3,8-9,11H2,1H3,(H,22,27)
InChIKeyRFCCTALVLIPXAW-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.39
Rot. Bonds7

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 46548477) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID46548477
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1F
InChIInChI=1S/C20H20FN5O2/c1-28-18-10-2-13(12-17(18)21)3-11-19(27)22-15-6-4-14(5-7-15)20-23-24-25-26(20)16-8-9-16/h2,4-7,10,12,16H,3,8-9,11H2,1H3,(H,22,27)
InChIKeyRFCCTALVLIPXAW-UHFFFAOYSA-N
XLogP3.39
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 30702128
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 55536713
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 39974905
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134020192
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41294925
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 46548477) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)cc1F.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is RFCCTALVLIPXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-28-18-10-2-13(12-17(18)21)3-11-19(27)22-15-6-4-14(5-7-15)20-23-24-25-26(20)16-8-9-16/h2,4-7,10,12,16H,3,8-9,11H2,1H3,(H,22,27).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 381.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 46548477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).