1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride

C14H18ClN3O2 — CID 119710445

IUPAC1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C14H17N3O2.ClH/c15-14(6-7-14)13(19)17-11-3-1-2-10(8-11)16-12(18)9-4-5-9;/h1-3,8-9H,4-7,15H2,(H,16,18)(H,17,19);1H
InChIKeyZEPURJXQFQOEFD-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.89
Rot. Bonds4

About 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119710445) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119710445
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C14H17N3O2.ClH/c15-14(6-7-14)13(19)17-11-3-1-2-10(8-11)16-12(18)9-4-5-9;/h1-3,8-9H,4-7,15H2,(H,16,18)(H,17,19);1H
InChIKeyZEPURJXQFQOEFD-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119710727
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1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
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1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(thiane-4-carbonylamino)phenyl]thiane-4-carboxamide
CID 171577086
2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 46570320
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119710445) is 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1.
What is the InChIKey of 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ZEPURJXQFQOEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c15-14(6-7-14)13(19)17-11-3-1-2-10(8-11)16-12(18)9-4-5-9;/h1-3,8-9H,4-7,15H2,(H,16,18)(H,17,19);1H.
What are the key properties of 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119710445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).