5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride

C15H21Cl2N3O2 — CID 119770124

IUPAC5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-2-18-15(21)12-7-11(16)5-6-13(12)19-14(20)9-17-8-10-3-4-10;/h5-7,10,17H,2-4,8-9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyCCYLTYIDNNVBHM-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.45
Rot. Bonds7

About 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride

5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride (PubChem CID 119770124) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
PubChem CID119770124
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-2-18-15(21)12-7-11(16)5-6-13(12)19-14(20)9-17-8-10-3-4-10;/h5-7,10,17H,2-4,8-9H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyCCYLTYIDNNVBHM-UHFFFAOYSA-N
XLogP2.45
TPSA70.23 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 ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711772
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119770135
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide
CID 119800266
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
ethyl (Z)-4-[4-chloro-2-(cyclopropylmethylcarbamoyl)anilino]-4-oxobut-2-enoate
CID 66921446
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride?
The IUPAC name of 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride (CID 119770124) is 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride is CCNC(=O)c1cc(Cl)ccc1NC(=O)CNCC1CC1.Cl.
What is the InChIKey of 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride?
The InChIKey is CCYLTYIDNNVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-2-18-15(21)12-7-11(16)5-6-13(12)19-14(20)9-17-8-10-3-4-10;/h5-7,10,17H,2-4,8-9H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride?
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride is sourced from PubChem (CID 119770124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).