2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride

C15H21Cl2N3O2 — CID 119810317

IUPAC2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)(C(N)=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-15(14(17)21,11-3-2-4-12(16)7-11)19-13(20)9-18-8-10-5-6-10;/h2-4,7,10,18H,5-6,8-9H2,1H3,(H2,17,21)(H,19,20);1H
InChIKeyHJNSMBIODFCWBP-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.58
Rot. Bonds7

About 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride

2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride (PubChem CID 119810317) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
PubChem CID119810317
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)(C(N)=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-15(14(17)21,11-3-2-4-12(16)7-11)19-13(20)9-18-8-10-5-6-10;/h2-4,7,10,18H,5-6,8-9H2,1H3,(H2,17,21)(H,19,20);1H
InChIKeyHJNSMBIODFCWBP-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-[[2-(oxolan-2-yl)acetyl]amino]propanamide
CID 71977415
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 71862052
2-(3-chlorophenyl)-2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanamide
CID 71861458
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
(2S,5R)-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-(aminomethyl)oxolane-2-carboxamide
CID 120795520
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
2-(cyclopropylmethylamino)-N-[2-(3,4-difluorophenyl)propan-2-yl]acetamide
CID 119809188
2-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 119338812
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119810301

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride (CID 119810317) is 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride is CC(NC(=O)CNCC1CC1)(C(N)=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride?
The InChIKey is HJNSMBIODFCWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-15(14(17)21,11-3-2-4-12(16)7-11)19-13(20)9-18-8-10-5-6-10;/h2-4,7,10,18H,5-6,8-9H2,1H3,(H2,17,21)(H,19,20);1H.
What are the key properties of 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride?
2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide;hydrochloride is sourced from PubChem (CID 119810317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).