3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide

C17H21F2N3O2 — CID 100652462

IUPAC3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide
SMILESO=C(Nc1cccc(C(=O)NC[C@@H]2CCC(F)(F)C2)c1)NC1CC1
InChIInChI=1S/C17H21F2N3O2/c18-17(19)7-6-11(9-17)10-20-15(23)12-2-1-3-14(8-12)22-16(24)21-13-4-5-13/h1-3,8,11,13H,4-7,9-10H2,(H,20,23)(H2,21,22,24)/t11-/m1/s1
InChIKeyLAOPQQFMFADUEO-LLVKDONJSA-N
MW337.37 g/mol
LogP3.14
Rot. Bonds5

About 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide

3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide (PubChem CID 100652462) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide
PubChem CID100652462
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide
SMILESO=C(Nc1cccc(C(=O)NC[C@@H]2CCC(F)(F)C2)c1)NC1CC1
InChIInChI=1S/C17H21F2N3O2/c18-17(19)7-6-11(9-17)10-20-15(23)12-2-1-3-14(8-12)22-16(24)21-13-4-5-13/h1-3,8,11,13H,4-7,9-10H2,(H,20,23)(H2,21,22,24)/t11-/m1/s1
InChIKeyLAOPQQFMFADUEO-LLVKDONJSA-N
XLogP3.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(cyclopropylcarbamoylamino)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
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CID 119588727

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide (CID 100652462) is 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide is O=C(Nc1cccc(C(=O)NC[C@@H]2CCC(F)(F)C2)c1)NC1CC1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide?
The InChIKey is LAOPQQFMFADUEO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c18-17(19)7-6-11(9-17)10-20-15(23)12-2-1-3-14(8-12)22-16(24)21-13-4-5-13/h1-3,8,11,13H,4-7,9-10H2,(H,20,23)(H2,21,22,24)/t11-/m1/s1.
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide?
3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide has a molecular weight of 337.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[[(1R)-3,3-difluorocyclopentyl]methyl]benzamide is sourced from PubChem (CID 100652462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).