[1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid

C14H19ClN2O2 — CID 155146217

IUPAC[1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CNC1(c2cccc(Cl)c2)CC1)NC(=O)O
InChIInChI=1S/C14H19ClN2O2/c1-13(2,17-12(18)19)9-16-14(6-7-14)10-4-3-5-11(15)8-10/h3-5,8,16-17H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyRWCUZYHVMVDDAT-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.96
Rot. Bonds5

About [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid

[1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid (PubChem CID 155146217) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid
PubChem CID155146217
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name[1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CNC1(c2cccc(Cl)c2)CC1)NC(=O)O
InChIInChI=1S/C14H19ClN2O2/c1-13(2,17-12(18)19)9-16-14(6-7-14)10-4-3-5-11(15)8-10/h3-5,8,16-17H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyRWCUZYHVMVDDAT-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate
CID 75443074
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopropyl]-2-morpholin-4-ylacetamide
CID 110444239
3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
CID 120501433

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid (CID 155146217) is [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid is CC(C)(CNC1(c2cccc(Cl)c2)CC1)NC(=O)O.
What is the InChIKey of [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is RWCUZYHVMVDDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-13(2,17-12(18)19)9-16-14(6-7-14)10-4-3-5-11(15)8-10/h3-5,8,16-17H,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid?
[1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 282.77 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(3-chlorophenyl)cyclopropyl]amino]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 155146217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).