(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride

C13H17ClF2N2O — CID 119284890

IUPAC(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8(16)13(18)17(11-4-5-11)7-9-2-3-10(14)6-12(9)15;/h2-3,6,8,11H,4-5,7,16H2,1H3;1H/t8-;/m0./s1
InChIKeyIBKDZSMDQRHPHX-QRPNPIFTSA-N
MW290.74 g/mol
LogP2.22
Rot. Bonds4

About (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride

(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride (PubChem CID 119284890) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
PubChem CID119284890
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8(16)13(18)17(11-4-5-11)7-9-2-3-10(14)6-12(9)15;/h2-3,6,8,11H,4-5,7,16H2,1H3;1H/t8-;/m0./s1
InChIKeyIBKDZSMDQRHPHX-QRPNPIFTSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]butanamide
CID 54870409
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 66568232
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)butanamide
CID 62838323
2-(butan-2-ylamino)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 60938567
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115448025
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
3-[cyclopropyl-[2-(2,4-difluorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 120535316

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride (CID 119284890) is (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride is C[C@H](N)C(=O)N(Cc1ccc(F)cc1F)C1CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride?
The InChIKey is IBKDZSMDQRHPHX-QRPNPIFTSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-8(16)13(18)17(11-4-5-11)7-9-2-3-10(14)6-12(9)15;/h2-3,6,8,11H,4-5,7,16H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride?
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119284890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).