(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide

C19H19ClN6O — CID 119330139

IUPAC(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C19H19ClN6O/c20-15-9-8-14(11-17(15)26-18(13-6-7-13)23-24-25-26)22-19(27)16(21)10-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10,21H2,(H,22,27)/t16-/m0/s1
InChIKeyMCCVFMNRWJBXTO-INIZCTEOSA-N
MW382.86 g/mol
LogP2.70
Rot. Bonds6

About (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide

(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide (PubChem CID 119330139) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
PubChem CID119330139
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C19H19ClN6O/c20-15-9-8-14(11-17(15)26-18(13-6-7-13)23-24-25-26)22-19(27)16(21)10-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10,21H2,(H,22,27)/t16-/m0/s1
InChIKeyMCCVFMNRWJBXTO-INIZCTEOSA-N
XLogP2.70
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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]propanamide
CID 119330131
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
CID 167910778
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 126795852
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889219
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide;dihydrochloride
CID 119889218
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide (CID 119330139) is (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1.
What is the InChIKey of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide?
The InChIKey is MCCVFMNRWJBXTO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-15-9-8-14(11-17(15)26-18(13-6-7-13)23-24-25-26)22-19(27)16(21)10-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10,21H2,(H,22,27)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide?
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide has a molecular weight of 382.86 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119330139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).